1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane

C201H367N17O11S4 — CID 162213651

About 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane

1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane (PubChem CID 162213651) has the molecular formula C201H367N17O11S4 and a molecular weight of 3326.52 g/mol. Its IUPAC name is 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane.

Molecular Properties

• Compound Name: 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane
• PubChem CID: 162213651
• Molecular Formula: C201H367N17O11S4
• Molecular Weight: 3326.52 g/mol
• Exact Mass: 3323.76
• IUPAC Name: 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane
• SMILES: CC(C)C(c1ncccn1)C1CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC1CCCC1.CC(C)CCC(C)(C)C.CC(C)CCC1CC1.CC(C)CCCS(C)(=O)=O.CC(C)CCN1CCCCC1.CC(C)CCN1CCS(=O)(=O)CC1.CC(C)CCOC(C)C.CC(C)CCOC1CC1.CC(C)CCOc1ccccc1.CC(C)CCc1nccs1.CC(C)CCn1cccn1.CC(C)CCn1ccnc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CC(C)Cc1ncco1.CC(C)Cc1nccs1.CC(C)[C@@H](C)C1CCCC1.CC(C)[C@H](C)C1CCCC1.CCCCOCCC(C)C
• InChI: InChI=1S/C11H16N2.C11H16O.C10H21N.2C10H20.C10H14.C9H19NO2S.C9H17NO2.C9H13N.C9H20O.C9H18.C9H20.2C8H14N2.2C8H12N2.C8H13NS.C8H16O.C8H18O.C8H16.C7H11NO.C7H11NS.C7H16O2S/c1-8(2)10(9-4-5-9)11-12-6-3-7-13-11;1-10(2)8-9-12-11-6-4-3-5-7-11;1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)9(3)10-6-4-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9-5-3-4-6-10-9;1-4-5-7-10-8-6-9(2)3;1-8(2)7-9-5-3-4-6-9;1-8(2)6-7-9(3,4)5;1-8(2)3-5-10-6-4-9-7-10;1-8(2)4-7-10-6-3-5-9-10;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-6-9-8-3-4-8;1-7(2)5-6-9-8(3)4;1-7(2)3-4-8-5-6-8;2*1-6(2)5-7-8-3-4-9-7;1-7(2)5-4-6-10(3,8)9/h3,6-10H,4-5H2,1-2H3;3-7,10H,8-9H2,1-2H3;10H,3-9H2,1-2H3;2*8-10H,4-7H2,1-3H3;3-7,9H,8H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3;4,6-8H,3,5H2,1-2H3;3,5-6,8H,4,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-7H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;2*3-4,6H,5H2,1-2H3;7H,4-6H2,1-3H3/t;;;2*9-;;;;;;;;;;;;;;;;;;/m...10................../s1
• InChIKey: ZTENMPYXPXSKRG-NPRKNPEFSA-N
• XLogP: 54.68
• TPSA: 318.90 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 65
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3326.52
LogP ≤ 5	54.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane?

The IUPAC name of 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane (CID 162213651) is 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane.

What is the SMILES notation for 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane?

The canonical SMILES for 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane is CC(C)C(c1ncccn1)C1CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC1CCCC1.CC(C)CCC(C)(C)C.CC(C)CCC1CC1.CC(C)CCCS(C)(=O)=O.CC(C)CCN1CCCCC1.CC(C)CCN1CCS(=O)(=O)CC1.CC(C)CCOC(C)C.CC(C)CCOC1CC1.CC(C)CCOc1ccccc1.CC(C)CCc1nccs1.CC(C)CCn1cccn1.CC(C)CCn1ccnc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CC(C)Cc1ncco1.CC(C)Cc1nccs1.CC(C)[C@@H](C)C1CCCC1.CC(C)[C@H](C)C1CCCC1.CCCCOCCC(C)C.

What is the InChIKey of 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane?

The InChIKey is ZTENMPYXPXSKRG-NPRKNPEFSA-N. The full InChI is InChI=1S/C11H16N2.C11H16O.C10H21N.2C10H20.C10H14.C9H19NO2S.C9H17NO2.C9H13N.C9H20O.C9H18.C9H20.2C8H14N2.2C8H12N2.C8H13NS.C8H16O.C8H18O.C8H16.C7H11NO.C7H11NS.C7H16O2S/c1-8(2)10(9-4-5-9)11-12-6-3-7-13-11;1-10(2)8-9-12-11-6-4-3-5-7-11;1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)9(3)10-6-4-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9-5-3-4-6-10-9;1-4-5-7-10-8-6-9(2)3;1-8(2)7-9-5-3-4-6-9;1-8(2)6-7-9(3,4)5;1-8(2)3-5-10-6-4-9-7-10;1-8(2)4-7-10-6-3-5-9-10;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-6-9-8-3-4-8;1-7(2)5-6-9-8(3)4;1-7(2)3-4-8-5-6-8;2*1-6(2)5-7-8-3-4-9-7;1-7(2)5-4-6-10(3,8)9/h3,6-10H,4-5H2,1-2H3;3-7,10H,8-9H2,1-2H3;10H,3-9H2,1-2H3;2*8-10H,4-7H2,1-3H3;3-7,9H,8H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3;4,6-8H,3,5H2,1-2H3;3,5-6,8H,4,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-7H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;2*3-4,6H,5H2,1-2H3;7H,4-6H2,1-3H3/t;;;2*9-;;;;;;;;;;;;;;;;;;/m...10................../s1.

What are the key properties of 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane?

1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane has a molecular weight of 3326.52 g/mol, XLogP of 54.68, 65 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane is sourced from PubChem (CID 162213651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).