N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide

C13H26N2O — CID 119601992

IUPACN-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CCCC1CN)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-11-7-5-6-10(11)8-14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyQLGIIWGBSQWSKQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide

N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide (PubChem CID 119601992) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
PubChem CID119601992
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CCCC1CN)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-11-7-5-6-10(11)8-14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyQLGIIWGBSQWSKQ-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119603444
N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310394
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
CID 165469689
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide (CID 119601992) is N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide is CC(C(=O)NC1CCCC1CN)C(C)(C)C.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide?
The InChIKey is QLGIIWGBSQWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-11-7-5-6-10(11)8-14/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide?
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 119601992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).