3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide

C16H30N2O — CID 64915659

IUPAC3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CN)C2)C1C
InChIInChI=1S/C16H30N2O/c1-3-13-7-8-15(11(13)2)18-16(19)14-6-4-5-12(9-14)10-17/h11-15H,3-10,17H2,1-2H3,(H,18,19)
InChIKeyFFGCLHOPPVVYCQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.69
Rot. Bonds4

About 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 64915659) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID64915659
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CN)C2)C1C
InChIInChI=1S/C16H30N2O/c1-3-13-7-8-15(11(13)2)18-16(19)14-6-4-5-12(9-14)10-17/h11-15H,3-10,17H2,1-2H3,(H,18,19)
InChIKeyFFGCLHOPPVVYCQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide (CID 64915659) is 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide is CCC1CCC(NC(=O)C2CCCC(CN)C2)C1C.
What is the InChIKey of 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is FFGCLHOPPVVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-13-7-8-15(11(13)2)18-16(19)14-6-4-5-12(9-14)10-17/h11-15H,3-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64915659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).