4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine

C16H32N2 — CID 79122769

IUPAC4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-17-14-10-12-16(13-11-14)18(2)15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyBXZNCAXCDTYVOM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds3

About 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122769) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122769
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-17-14-10-12-16(13-11-14)18(2)15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyBXZNCAXCDTYVOM-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-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

N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
N-cyclopropyl-N-methylcyclohexanamine;hydrochloride
CID 67002847
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
4-N-(3-ethylcyclohexyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122835
1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
CID 79110275
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
N-methylcyclohexanamine;dihydrochloride
CID 140514199
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
N-methylbicyclo[8.7.0]heptadecan-13-amine
CID 170240030

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122769) is 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)C2CCCCCCC2)CC1.
What is the InChIKey of 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is BXZNCAXCDTYVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-17-14-10-12-16(13-11-14)18(2)15-8-6-4-3-5-7-9-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).