3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide

C16H30N2O — CID 55115083

IUPAC3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-12-6-8-15(9-7-12)18-16(19)14-5-3-4-13(10-14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyRQEUCZQJHWOYLQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds4

About 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 55115083) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID55115083
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-12-6-8-15(9-7-12)18-16(19)14-5-3-4-13(10-14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyRQEUCZQJHWOYLQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915659
3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
CID 62807267
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144
N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58817605
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide (CID 55115083) is 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide is CCC1CCC(NC(=O)C2CCCC(CN)C2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is RQEUCZQJHWOYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-12-6-8-15(9-7-12)18-16(19)14-5-3-4-13(10-14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).