1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine

C173H371ClN6O9S2 — CID 167613693

About 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine

1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine (PubChem CID 167613693) has the molecular formula C173H371ClN6O9S2 and a molecular weight of 2779.49 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine.

Molecular Properties

• Compound Name: 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
• PubChem CID: 167613693
• Molecular Formula: C173H371ClN6O9S2
• Molecular Weight: 2779.49 g/mol
• Exact Mass: 2776.79
• IUPAC Name: 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
• SMILES: CC(=O)N1CCC(C(C)C)CC1.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CC(Cl)C1.CC(C)C1CC(O)C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(S(C)(=O)=O)CC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CCN(C)C.CC(C)CCO.CC(C)CCS(C)(=O)=O.CC(C)CN(C)C.CCC(C)C.CCCC(C)C.CCCCC(C)C
• InChI: InChI=1S/C10H19NO.C9H19NO2S.C9H19N.2C9H18.C8H17N.C8H16O.C8H16.C8H18.C7H13Cl.C7H17N.C7H14O.C7H14.3C7H16.C6H15N.C6H14O2S.C6H12O.C6H12.2C6H14.C5H12O.C5H12/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-4-6-10(3)7-5-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-5(2)6-3-7(8)4-6;1-7(2)5-6-8(3)4;1-5(2)6-3-7(8)4-6;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-6(2)5-7(3)4;1-6(2)4-5-9(3,7)8;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3;1-5(2)3-4-6;1-4-5(2)3/h8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;5-7H,3-4H2,1-2H3;7H,5-6H2,1-4H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3
• InChIKey: LKSWMSUQKGWIRA-UHFFFAOYSA-N
• XLogP: 51.03
• TPSA: 172.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.49
LogP ≤ 5	51.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine?

The IUPAC name of 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine (CID 167613693) is 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine.

What is the SMILES notation for 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine?

The canonical SMILES for 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine is CC(=O)N1CCC(C(C)C)CC1.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CC(Cl)C1.CC(C)C1CC(O)C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(S(C)(=O)=O)CC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CCN(C)C.CC(C)CCO.CC(C)CCS(C)(=O)=O.CC(C)CN(C)C.CCC(C)C.CCCC(C)C.CCCCC(C)C.

What is the InChIKey of 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine?

The InChIKey is LKSWMSUQKGWIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H19NO2S.C9H19N.2C9H18.C8H17N.C8H16O.C8H16.C8H18.C7H13Cl.C7H17N.C7H14O.C7H14.3C7H16.C6H15N.C6H14O2S.C6H12O.C6H12.2C6H14.C5H12O.C5H12/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-4-6-10(3)7-5-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-5(2)6-3-7(8)4-6;1-7(2)5-6-8(3)4;1-5(2)6-3-7(8)4-6;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-6(2)5-7(3)4;1-6(2)4-5-9(3,7)8;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3;1-5(2)3-4-6;1-4-5(2)3/h8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;5-7H,3-4H2,1-2H3;7H,5-6H2,1-4H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3.

What are the key properties of 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine?

1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine has a molecular weight of 2779.49 g/mol, XLogP of 51.03, 34 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 167613693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).