2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide

C12H24N2O2 — CID 107317629

IUPAC2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCCCCCO
InChIInChI=1S/C12H24N2O2/c13-9-10-5-4-6-11(10)12(16)14-7-2-1-3-8-15/h10-11,15H,1-9,13H2,(H,14,16)
InChIKeyQIPGLRUMRAYVHC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds7

About 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide (PubChem CID 107317629) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
PubChem CID107317629
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCCCCCO
InChIInChI=1S/C12H24N2O2/c13-9-10-5-4-6-11(10)12(16)14-7-2-1-3-8-15/h10-11,15H,1-9,13H2,(H,14,16)
InChIKeyQIPGLRUMRAYVHC-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide (CID 107317629) is 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NCCCCCO.
What is the InChIKey of 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide?
The InChIKey is QIPGLRUMRAYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-9-10-5-4-6-11(10)12(16)14-7-2-1-3-8-15/h10-11,15H,1-9,13H2,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107317629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).