1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine

C16H34N2 — CID 62411796

IUPAC1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C1CCC(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-15-9-11-16(12-10-15)18(4)14(3)8-7-13-17-6-2/h14-17H,5-13H2,1-4H3
InChIKeyRVWLTLIPPKDGIK-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine

1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine (PubChem CID 62411796) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
PubChem CID62411796
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C1CCC(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-15-9-11-16(12-10-15)18(4)14(3)8-7-13-17-6-2/h14-17H,5-13H2,1-4H3
InChIKeyRVWLTLIPPKDGIK-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine (CID 62411796) is 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine is CCNCCCC(C)N(C)C1CCC(CC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine?
The InChIKey is RVWLTLIPPKDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-15-9-11-16(12-10-15)18(4)14(3)8-7-13-17-6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine?
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62411796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).