3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 102871203

IUPAC3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C15H28N2O2/c16-11-12-4-1-5-13(10-12)15(19)17(8-3-9-18)14-6-2-7-14/h12-14,18H,1-11,16H2
InChIKeyILVOWJYYOIKTOS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds6

About 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 102871203) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID102871203
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C15H28N2O2/c16-11-12-4-1-5-13(10-12)15(19)17(8-3-9-18)14-6-2-7-14/h12-14,18H,1-11,16H2
InChIKeyILVOWJYYOIKTOS-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide 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

N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107487353
N-cyclobutyl-3,3-difluoro-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 114094525
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102861598
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122
3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
CID 79863893

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (CID 102871203) is 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is NCC1CCCC(C(=O)N(CCCO)C2CCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is ILVOWJYYOIKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-11-12-4-1-5-13(10-12)15(19)17(8-3-9-18)14-6-2-7-14/h12-14,18H,1-11,16H2.
What are the key properties of 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).