4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine

C₁₆₂H₃₇₄N₁₂O₃S — CID 159009335

About 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine

4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine (PubChem CID 159009335) has the molecular formula C₁₆₂H₃₇₄N₁₂O₃S and a molecular weight of 2570.92 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine.

Molecular Properties

• Compound Name: 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine
• PubChem CID: 159009335
• Molecular Formula: C₁₆₂H₃₇₄N₁₂O₃S
• Molecular Weight: 2570.92 g/mol
• Exact Mass: 2568.92
• IUPAC Name: 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CC1CCCCC1.CC(C)CN(C)C.CC(C)CN1CCN(C)CC1.CC(C)Cc1ccccc1.CCC(C)C.CN1CC=CCC1.CN1CCCC1.CN1CCCCC1.COCC(C)C.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1
• InChI: InChI=1S/C10H20.C10H14.C9H20N2.C9H19N.C8H17NO.C8H17N.C6H13N.C6H11N.C6H15N.C5H11N.C5H5N.C5H12O.C5H12.C4H4N2.C4H4O.C4H4S.6C4H10.10C2H6.14CH4/c2*1-9(2)8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-7-5-3-2-4-6-7;1-6(2)5-7(3)4;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-5(2)4-6-3;1-4-5(2)3;1-2-5-4-6-3-1;2*1-2-4-5-3-1;6*1-4(2)3;10*1-2;;;;;;;;;;;;;;/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;2-6H2,1H3;2-3H,4-6H2,1H3;6H,5H2,1-4H3;2-5H2,1H3;1-5H;5H,4H2,1-3H3;5H,4H2,1-3H3;1-4H;2*1-4H;6*4H,1-3H3;10*1-2H3;14*1H4
• InChIKey: JSHUQPPZSUMSRX-UHFFFAOYSA-N
• XLogP: 53.62
• TPSA: 99.43 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.92
LogP ≤ 5	53.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine?

The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine (CID 159009335) is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine.

What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine?

The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CC1CCCCC1.CC(C)CN(C)C.CC(C)CN1CCN(C)CC1.CC(C)Cc1ccccc1.CCC(C)C.CN1CC=CCC1.CN1CCCC1.CN1CCCCC1.COCC(C)C.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.

What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine?

The InChIKey is JSHUQPPZSUMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.C9H20N2.C9H19N.C8H17NO.C8H17N.C6H13N.C6H11N.C6H15N.C5H11N.C5H5N.C5H12O.C5H12.C4H4N2.C4H4O.C4H4S.6C4H10.10C2H6.14CH4/c2*1-9(2)8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-7-5-3-2-4-6-7;1-6(2)5-7(3)4;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-5(2)4-6-3;1-4-5(2)3;1-2-5-4-6-3-1;2*1-2-4-5-3-1;6*1-4(2)3;10*1-2;;;;;;;;;;;;;;/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;2-6H2,1H3;2-3H,4-6H2,1H3;6H,5H2,1-4H3;2-5H2,1H3;1-5H;5H,4H2,1-3H3;5H,4H2,1-3H3;1-4H;2*1-4H;6*4H,1-3H3;10*1-2H3;14*1H4.

What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine?

4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine has a molecular weight of 2570.92 g/mol, XLogP of 53.62, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;furan;methane;1-methoxy-2-methylpropane;2-methylbutane;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-4-(2-methylpropyl)piperazine;1-methylpiperidine;hexakis(2-methylpropane);2-methylpropylbenzene;2-methylpropylcyclohexane;1-methylpyrrolidine;pyridine;pyrimidine;thiophene;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 159009335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159009335 — identifiers, structure, computed properties (public domain)

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