N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride

C12H25ClN2O — CID 119565263

IUPACN-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12;/h4-9,13H2,1-3H3,(H,14,15);1H
InChIKeyWRCAGTIRQSPKPU-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.23
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119565263) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119565263
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12;/h4-9,13H2,1-3H3,(H,14,15);1H
InChIKeyWRCAGTIRQSPKPU-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119566804
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119565474
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyacetamide
CID 112701354
N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
CID 79154067

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride (CID 119565263) is N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)CC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is WRCAGTIRQSPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12;/h4-9,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119565263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).