1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine

C171H370N20 — CID 167651597

About 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine

1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine (PubChem CID 167651597) has the molecular formula C171H370N20 and a molecular weight of 2706.98 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
• PubChem CID: 167651597
• Molecular Formula: C171H370N20
• Molecular Weight: 2706.98 g/mol
• Exact Mass: 2704.96
• IUPAC Name: 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine
• SMILES: CC(C)CC(C)(CN)CN.CC(C)CCC1CCCN1.CC(C)CCCCN(C)C.CC(C)CCCN1CCC1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCNCC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(CN2CCCC2)C1.CC(C)CCN1CCCC1C.CC(C)CCN1CCCCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC2CCCCC2)CC1.CC(C)CCN1CCNCC1.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.CCN(CC)CCCCC(C)C
• InChI: InChI=1S/C16H32N2.C14H28N2.C12H25N.C11H25N.2C10H22N2.3C10H21N.C9H20N2.2C9H19N.C9H21N.C9H20.C8H20N2.C8H18.C7H16/c1-15(2)8-9-17-10-12-18(13-11-17)14-16-6-4-3-5-7-16;1-13(2)5-9-16-10-6-14(12-16)11-15-7-3-4-8-15;1-12(2)8-11-13-9-6-4-3-5-7-10-13;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-7-12-8-5-11-6-9-12;1-9(2)4-6-11-7-5-10(3)8-11;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)5-3-6-10-7-4-8-10;1-8(2)5-6-9-4-3-7-10-9;1-9(2)7-5-6-8-10(3)4;1-4-5-6-7-8-9(2)3;1-7(2)4-8(3,5-9)6-10;1-4-5-6-7-8(2)3;1-4-5-6-7(2)3/h15-16H,3-14H2,1-2H3;13-14H,3-12H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;2*9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7H,4-6,9-10H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
• InChIKey: QQQKJZCHSGMKLY-UHFFFAOYSA-N
• XLogP: 40.39
• TPSA: 136.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 68
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2706.98
LogP ≤ 5	40.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?

The IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine (CID 167651597) is 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine.

What is the SMILES notation for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?

The canonical SMILES for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine is CC(C)CC(C)(CN)CN.CC(C)CCC1CCCN1.CC(C)CCCCN(C)C.CC(C)CCCN1CCC1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCNCC1.CC(C)CCN1CCC(C)C1.CC(C)CCN1CCC(CN2CCCC2)C1.CC(C)CCN1CCCC1C.CC(C)CCN1CCCCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC2CCCCC2)CC1.CC(C)CCN1CCNCC1.CCCCC(C)C.CCCCCC(C)C.CCCCCCC(C)C.CCN(CC)CCCCC(C)C.

What is the InChIKey of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?

The InChIKey is QQQKJZCHSGMKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C14H28N2.C12H25N.C11H25N.2C10H22N2.3C10H21N.C9H20N2.2C9H19N.C9H21N.C9H20.C8H20N2.C8H18.C7H16/c1-15(2)8-9-17-10-12-18(13-11-17)14-16-6-4-3-5-7-16;1-13(2)5-9-16-10-6-14(12-16)11-15-7-3-4-8-15;1-12(2)8-11-13-9-6-4-3-5-7-10-13;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-7-12-8-5-11-6-9-12;1-9(2)4-6-11-7-5-10(3)8-11;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)5-3-6-10-7-4-8-10;1-8(2)5-6-9-4-3-7-10-9;1-9(2)7-5-6-8-10(3)4;1-4-5-6-7-8-9(2)3;1-7(2)4-8(3,5-9)6-10;1-4-5-6-7-8(2)3;1-4-5-6-7(2)3/h15-16H,3-14H2,1-2H3;13-14H,3-12H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;2*9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7H,4-6,9-10H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3.

What are the key properties of 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine?

1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine has a molecular weight of 2706.98 g/mol, XLogP of 40.39, 68 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-4-(3-methylbutyl)piperazine;N,N-diethyl-5-methylhexan-1-amine;1-(3-methylbutyl)azocane;1-(3-methylbutyl)piperazine;2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine;2-methylheptane;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(3-methylbutyl)pyrrolidine;3-methyl-1-(3-methylbutyl)pyrrolidine;2-methyl-2-(2-methylpropyl)propane-1,3-diamine;2-methyloctane;1-(4-methylpentyl)azetidine;1-(4-methylpentyl)piperazine;1-(4-methylpentyl)pyrrolidine;N,N,5-trimethylhexan-1-amine is sourced from PubChem (CID 167651597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).