ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate

C14H27NO2 — CID 63243710

IUPACethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-17-14(16)9-12(3)15-10-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyQTIMXORFBZHSGA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds6

About ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate

ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate (PubChem CID 63243710) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
PubChem CID63243710
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-17-14(16)9-12(3)15-10-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyQTIMXORFBZHSGA-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate 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

ethyl 3-[(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methylamino]butanoate
CID 134549412
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
4-methyl-N-[(4-methylcyclohexyl)methyl]pentan-2-amine
CID 63243107
3-(cyclobutylmethylamino)butanamide
CID 115676578
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
2-methyl-3-[(4-methylcyclohexyl)methylamino]butanoic acid
CID 79398095
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
3-(cyclopentylmethylamino)butanoic acid
CID 43536958

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate?
The IUPAC name of ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate (CID 63243710) is ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate.
What is the SMILES notation for ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate?
The canonical SMILES for ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate is CCOC(=O)CC(C)NCC1CCC(C)CC1.
What is the InChIKey of ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate?
The InChIKey is QTIMXORFBZHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-17-14(16)9-12(3)15-10-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate?
ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate is sourced from PubChem (CID 63243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).