N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine

C170H375N19O10 — CID 165036999

About N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine

N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine (PubChem CID 165036999) has the molecular formula C170H375N19O10 and a molecular weight of 2845.99 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine.

Molecular Properties

• Compound Name: N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine
• PubChem CID: 165036999
• Molecular Formula: C170H375N19O10
• Molecular Weight: 2845.99 g/mol
• Exact Mass: 2843.94
• IUPAC Name: N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine
• SMILES: CC.CC.CC(C)(C)CCCN.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)CC(C)(C)CN.CC(C)CC(C)CCCN.CC(C)CCCN.CC(C)CCCN1CCCC1.CC(C)CCCN1CCN(C)CC1.CC(C)CCCOCCCCOCCCCOCCCCOCCCCOCCCN.CC(C)CCCOCCOCCOCCOCCOCCCN.CC(C)CCN(CCN)CCN.CC(C)N1CCC(Cc2ccccc2)C1.CCC(CCN)C(C)C.CCC(N)CCC(C)C.CCCCCC(C)C.NC1CCCC1.NC1CCCCC1
• InChI: InChI=1S/C25H53NO5.C17H37NO5.C14H21N.C11H24N2.C10H21N.C9H23N3.C9H21N.C8H17N.3C8H19N.C8H18.C7H15N.C7H17N.C6H13N.C6H15N.C5H11N.2C2H6/c1-25(2)13-11-23-30-21-9-7-19-28-17-5-3-15-27-16-4-6-18-29-20-8-10-22-31-24-12-14-26;1-17(2)5-3-7-19-9-11-21-13-15-23-16-14-22-12-10-20-8-4-6-18;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)3-6-12(7-4-10)8-5-11;1-8(2)7-9(3)5-4-6-10;1-7(2)8-3-5-9-6-4-8;1-7(2)5-8(3,4)6-9;1-4-8(5-6-9)7(2)3;1-4-8(9)6-5-7(2)3;1-4-5-6-7-8(2)3;1-6(2)7-3-4-8-5-7;1-7(2,3)5-4-6-8;7-6-4-2-1-3-5-6;1-6(2)4-3-5-7;6-5-3-1-2-4-5;2*1-2/h25H,3-24,26H2,1-2H3;17H,3-16,18H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;9H,3-8,10-11H2,1-2H3;8-9H,4-7,10H2,1-3H3;7-9H,3-6H2,1-2H3;7H,5-6,9H2,1-4H3;2*7-8H,4-6,9H2,1-3H3;8H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;4-6,8H2,1-3H3;6H,1-5,7H2;6H,3-5,7H2,1-2H3;5H,1-4,6H2;2*1-2H3
• InChIKey: NNLSMKFMFOMESC-UHFFFAOYSA-N
• XLogP: 36.32
• TPSA: 444.80 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 91
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2845.99
LogP ≤ 5	36.32
H-Bond Donors ≤ 5	14
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 N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine?

The IUPAC name of N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine (CID 165036999) is N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine.

What is the SMILES notation for N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine?

The canonical SMILES for N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine is CC.CC.CC(C)(C)CCCN.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)CC(C)(C)CN.CC(C)CC(C)CCCN.CC(C)CCCN.CC(C)CCCN1CCCC1.CC(C)CCCN1CCN(C)CC1.CC(C)CCCOCCCCOCCCCOCCCCOCCCCOCCCN.CC(C)CCCOCCOCCOCCOCCOCCCN.CC(C)CCN(CCN)CCN.CC(C)N1CCC(Cc2ccccc2)C1.CCC(CCN)C(C)C.CCC(N)CCC(C)C.CCCCCC(C)C.NC1CCCC1.NC1CCCCC1.

What is the InChIKey of N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine?

The InChIKey is NNLSMKFMFOMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO5.C17H37NO5.C14H21N.C11H24N2.C10H21N.C9H23N3.C9H21N.C8H17N.3C8H19N.C8H18.C7H15N.C7H17N.C6H13N.C6H15N.C5H11N.2C2H6/c1-25(2)13-11-23-30-21-9-7-19-28-17-5-3-15-27-16-4-6-18-29-20-8-10-22-31-24-12-14-26;1-17(2)5-3-7-19-9-11-21-13-15-23-16-14-22-12-10-20-8-4-6-18;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)3-6-12(7-4-10)8-5-11;1-8(2)7-9(3)5-4-6-10;1-7(2)8-3-5-9-6-4-8;1-7(2)5-8(3,4)6-9;1-4-8(5-6-9)7(2)3;1-4-8(9)6-5-7(2)3;1-4-5-6-7-8(2)3;1-6(2)7-3-4-8-5-7;1-7(2,3)5-4-6-8;7-6-4-2-1-3-5-6;1-6(2)4-3-5-7;6-5-3-1-2-4-5;2*1-2/h25H,3-24,26H2,1-2H3;17H,3-16,18H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;9H,3-8,10-11H2,1-2H3;8-9H,4-7,10H2,1-3H3;7-9H,3-6H2,1-2H3;7H,5-6,9H2,1-4H3;2*7-8H,4-6,9H2,1-3H3;8H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;4-6,8H2,1-3H3;6H,1-5,7H2;6H,3-5,7H2,1-2H3;5H,1-4,6H2;2*1-2H3.

What are the key properties of N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine?

N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine has a molecular weight of 2845.99 g/mol, XLogP of 36.32, 91 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 165036999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).