4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C16H32N2 — CID 79122835

IUPAC4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCC1CCCC(N(C)C2CCC(NC)CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-6-5-7-16(12-13)18(3)15-10-8-14(17-2)9-11-15/h13-17H,4-12H2,1-3H3
InChIKeyUQCIGVBHOGBJBZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122835) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122835
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCC1CCCC(N(C)C2CCC(NC)CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-6-5-7-16(12-13)18(3)15-10-8-14(17-2)9-11-15/h13-17H,4-12H2,1-3H3
InChIKeyUQCIGVBHOGBJBZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122835) is 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCC1CCCC(N(C)C2CCC(NC)CC2)C1.
What is the InChIKey of 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is UQCIGVBHOGBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13-6-5-7-16(12-13)18(3)15-10-8-14(17-2)9-11-15/h13-17H,4-12H2,1-3H3.
What are the key properties of 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).