2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide

C15H28N2O2 — CID 112702843

IUPAC2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-9-12-5-4-6-13(12)14(19)17-10-15(11-18)7-2-1-3-8-15/h12-13,18H,1-11,16H2,(H,17,19)
InChIKeyZOCVQRQNVKYDBU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.42
Rot. Bonds5

About 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide (PubChem CID 112702843) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
PubChem CID112702843
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-9-12-5-4-6-13(12)14(19)17-10-15(11-18)7-2-1-3-8-15/h12-13,18H,1-11,16H2,(H,17,19)
InChIKeyZOCVQRQNVKYDBU-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 115360185
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101531
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436439
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 112701950

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide (CID 112702843) is 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is ZOCVQRQNVKYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-9-12-5-4-6-13(12)14(19)17-10-15(11-18)7-2-1-3-8-15/h12-13,18H,1-11,16H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112702843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).