1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine

C13H26N2 — CID 79458526

IUPAC1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
SMILESCC1CCCCC1NC1CCCC(N)C1
InChIInChI=1S/C13H26N2/c1-10-5-2-3-8-13(10)15-12-7-4-6-11(14)9-12/h10-13,15H,2-9,14H2,1H3
InChIKeyPNVTXFIWCYSUKC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds2

About 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine

1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine (PubChem CID 79458526) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
PubChem CID79458526
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
SMILESCC1CCCCC1NC1CCCC(N)C1
InChIInChI=1S/C13H26N2/c1-10-5-2-3-8-13(10)15-12-7-4-6-11(14)9-12/h10-13,15H,2-9,14H2,1H3
InChIKeyPNVTXFIWCYSUKC-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
CID 64596012
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine
CID 82726265
2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
CID 107448582
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
1-N,1-N-dimethyl-3-N-(2-methylcyclopentyl)cyclohexane-1,3-diamine
CID 115689711
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
2-methyl-N-(3-methylcyclobutyl)cycloheptan-1-amine
CID 104859847
1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
CID 128748620
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine (CID 79458526) is 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine is CC1CCCCC1NC1CCCC(N)C1.
What is the InChIKey of 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine?
The InChIKey is PNVTXFIWCYSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-5-2-3-8-13(10)15-12-7-4-6-11(14)9-12/h10-13,15H,2-9,14H2,1H3.
What are the key properties of 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine?
1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).