2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine

C16H32N2 — CID 61436815

IUPAC2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine
SMILESCC1CCC(N(C)C2CCCCCCC2N)CC1
InChIInChI=1S/C16H32N2/c1-13-9-11-14(12-10-13)18(2)16-8-6-4-3-5-7-15(16)17/h13-16H,3-12,17H2,1-2H3
InChIKeyWAGFZZVUUMMOPC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds2

About 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine

2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine (PubChem CID 61436815) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine
PubChem CID61436815
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine
SMILESCC1CCC(N(C)C2CCCCCCC2N)CC1
InChIInChI=1S/C16H32N2/c1-13-9-11-14(12-10-13)18(2)16-8-6-4-3-5-7-15(16)17/h13-16H,3-12,17H2,1-2H3
InChIKeyWAGFZZVUUMMOPC-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
[(2S)-2-amino-2-cyclohexylethyl]dimethylamine
CID 58598201
1,2-Ethanediamine, N-cyclooctyl-N'-(2,3-dimethylcyclohexyl)-
CID 10446413
N~1~-(4-Methylcyclohexyl)-N~2~-undecylethane-1,2-diamine
CID 16076479
N~1~-[(1S)-1-Cyclohexylethyl]-N~2~-undecylethane-1,2-diamine
CID 16076543
N-cyclooctyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 16076734
N~1~-[(1S)-1-Cyclohexylethyl]-N~2~-cyclooctylethane-1,2-diamine
CID 16076741
N~1~-[(1R)-1-Cyclohexylethyl]-N~2~-cyclooctylethane-1,2-diamine
CID 16076742
N~1~-(2-Methylcyclohexyl)-N~2~-undecylethane-1,2-diamine
CID 16076793

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine (CID 61436815) is 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine is CC1CCC(N(C)C2CCCCCCC2N)CC1.
What is the InChIKey of 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine?
The InChIKey is WAGFZZVUUMMOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-9-11-14(12-10-13)18(2)16-8-6-4-3-5-7-15(16)17/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine?
2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 61436815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).