1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine

C16H34N2 — CID 106799150

IUPAC1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-15(17-5-2)11-10-14-18(6-3)16-12-8-7-9-13-16/h15-17H,4-14H2,1-3H3
InChIKeyFRHAROPHPJYISZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine

1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine (PubChem CID 106799150) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
PubChem CID106799150
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-15(17-5-2)11-10-14-18(6-3)16-12-8-7-9-13-16/h15-17H,4-14H2,1-3H3
InChIKeyFRHAROPHPJYISZ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
CID 106799608
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
N,N-diethylcycloundecanamine
CID 163828609
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722
1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine (CID 106799150) is 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine is CCNC(CC)CCCN(CC)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine?
The InChIKey is FRHAROPHPJYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-15(17-5-2)11-10-14-18(6-3)16-12-8-7-9-13-16/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine?
1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine is sourced from PubChem (CID 106799150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).