(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate

C14H25NO2 — CID 81161039

IUPAC(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC1CCCCC1OC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H25NO2/c1-11-5-2-3-6-12(11)17-13(16)9-14(10-15)7-4-8-14/h11-12H,2-10,15H2,1H3
InChIKeyKNUTZKAQSASDFD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.63
Rot. Bonds4

About (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate

(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161039) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161039
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC1CCCCC1OC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H25NO2/c1-11-5-2-3-6-12(11)17-13(16)9-14(10-15)7-4-8-14/h11-12H,2-10,15H2,1H3
InChIKeyKNUTZKAQSASDFD-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate 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

cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162285
(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446210
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
(2-methylcyclohexyl) propanoate
CID 546179
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
CID 115440228
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
(2-methylcyclohexyl) carbamate
CID 45090963
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161039) is (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate is CC1CCCCC1OC(=O)CC1(CN)CCC1.
What is the InChIKey of (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is KNUTZKAQSASDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-5-2-3-6-12(11)17-13(16)9-14(10-15)7-4-8-14/h11-12H,2-10,15H2,1H3.
What are the key properties of (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 239.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).