(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate

C15H27NO2 — CID 115436617

IUPAC(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC1CCC(OC(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-5-7-13(8-6-12)18-14(17)15(11-16)9-3-2-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeyNMFIOKGBZXWVRJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.02
Rot. Bonds3

About (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate

(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 115436617) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID115436617
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC1CCC(OC(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-5-7-13(8-6-12)18-14(17)15(11-16)9-3-2-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeyNMFIOKGBZXWVRJ-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637
(3,5-dimethylcyclohexyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444649
cyclopentyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446204
(3-methylcyclohexyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442890
(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433854
(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446210
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
CID 104597712
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate (CID 115436617) is (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate is CC1CCC(OC(=O)C2(CN)CCCCC2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is NMFIOKGBZXWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-5-7-13(8-6-12)18-14(17)15(11-16)9-3-2-4-10-15/h12-13H,2-11,16H2,1H3.
What are the key properties of (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate?
(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 115436617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).