N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide

C13H26N2O — CID 115365659

IUPACN-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(7-5-6-8-13)11(16)15-10-12(2,3)9-14/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyCDODZYFPIQJLES-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 115365659) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID115365659
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(7-5-6-8-13)11(16)15-10-12(2,3)9-14/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyCDODZYFPIQJLES-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
N-(1-amino-2-phenylpropan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 105060394
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide (CID 115365659) is N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NCC(C)(C)CN)CCCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is CDODZYFPIQJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(7-5-6-8-13)11(16)15-10-12(2,3)9-14/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 115365659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).