N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide

C13H24N2O — CID 165448057

IUPACN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
SMILESNC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-9-10-6-7-12(8-10)15-13(16)11-4-2-1-3-5-11/h10-12H,1-9,14H2,(H,15,16)/t10-,12+/m1/s1
InChIKeyPWZPICFPGVSITF-PWSUYJOCSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide

N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide (PubChem CID 165448057) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
PubChem CID165448057
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
SMILESNC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-9-10-6-7-12(8-10)15-13(16)11-4-2-1-3-5-11/h10-12H,1-9,14H2,(H,15,16)/t10-,12+/m1/s1
InChIKeyPWZPICFPGVSITF-PWSUYJOCSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
N-(3-aminocyclobutyl)cyclooctanecarboxamide
CID 65023112
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 55115083
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cycloheptylcycloheptanecarboxamide
CID 129091005
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide (CID 165448057) is N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide is NC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide?
The InChIKey is PWZPICFPGVSITF-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H24N2O/c14-9-10-6-7-12(8-10)15-13(16)11-4-2-1-3-5-11/h10-12H,1-9,14H2,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide?
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide is sourced from PubChem (CID 165448057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).