1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine

C16H34N2 — CID 79619259

IUPAC1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
SMILESCCCCN(C(C)CC)C1CCCC(NCC)C1
InChIInChI=1S/C16H34N2/c1-5-8-12-18(14(4)6-2)16-11-9-10-15(13-16)17-7-3/h14-17H,5-13H2,1-4H3
InChIKeyFFYOFSYTWDCGKY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine

1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine (PubChem CID 79619259) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
PubChem CID79619259
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
SMILESCCCCN(C(C)CC)C1CCCC(NCC)C1
InChIInChI=1S/C16H34N2/c1-5-8-12-18(14(4)6-2)16-11-9-10-15(13-16)17-7-3/h14-17H,5-13H2,1-4H3
InChIKeyFFYOFSYTWDCGKY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-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,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 63469797
N-butan-2-yl-N-butylazepan-3-amine
CID 62641187
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
CID 79618827
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
3-[butan-2-yl(butyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628235
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
N-ethyl-3-(2-ethylbutyl)cyclohexan-1-amine
CID 82923683
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine (CID 79619259) is 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine is CCCCN(C(C)CC)C1CCCC(NCC)C1.
What is the InChIKey of 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine?
The InChIKey is FFYOFSYTWDCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-8-12-18(14(4)6-2)16-11-9-10-15(13-16)17-7-3/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine?
1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine is sourced from PubChem (CID 79619259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).