N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide

C13H26N2O — CID 114877154

IUPACN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyWRXOEMLBVAKEQQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds6

About N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide

N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide (PubChem CID 114877154) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
PubChem CID114877154
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyWRXOEMLBVAKEQQ-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Valeramide, N-(2-(dimethylamino)ethyl)-2-propyl-
CID 200807
Valeramide, N,2-dipropyl-
CID 200919
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598
N-hexadecylcyclopentanecarboxamide
CID 46230476
Valeramide, N-isobutyl-2-propyl-
CID 211202
N-Butyl-2-ethylhexanamide
CID 24058
Valeramide, N-isopropyl-2-propyl-
CID 200920
Valeramide, N-butyl-2-propyl-
CID 200921
Octanamide, N-(5-amino-4-methylpentyl)-
CID 11107544
N-(Cyclopentylmethyl)cyclopentanecarboxamide
CID 84505496
Valeramide, N-(2-(diethylamino)ethyl)-2-propyl-
CID 200808
Valeramide, N-(3-(diethylamino)propyl)-2-propyl-
CID 200810

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide (CID 114877154) is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide is CCC(C)CC(=O)NCC1CCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The InChIKey is WRXOEMLBVAKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10(2)7-13(16)15-9-12-6-4-5-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide?
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 114877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).