3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

C15H29N — CID 64731982

IUPAC3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCCC2C)CC1C
InChIInChI=1S/C15H29N/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h11-16H,4-10H2,1-3H3
InChIKeySCBKRZJUFAKBCB-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds2

About 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 64731982) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
PubChem CID64731982
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCCC2C)CC1C
InChIInChI=1S/C15H29N/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h11-16H,4-10H2,1-3H3
InChIKeySCBKRZJUFAKBCB-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
2-[(3,4-dimethylcyclohexyl)amino]cycloheptane-1-carbonitrile
CID 64741304
2-methyl-N-(3-methylcyclobutyl)cycloheptan-1-amine
CID 104859847
N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
CID 64596012
1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
CID 79458526
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
CID 107448582
1-N,1-N-dimethyl-3-N-(2-methylcyclopentyl)cyclohexane-1,3-diamine
CID 115689711
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
CID 65082506

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (CID 64731982) is 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine is CC1CCC(NC2CCCCC2C)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is SCBKRZJUFAKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h11-16H,4-10H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 64731982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).