N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride

C13H26ClN3O2 — CID 119566804

IUPACN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-12(2,3)11(18)15-8-10(17)16-13(9-14)6-4-5-7-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyNUJPSKTUUDSSPV-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.96
Rot. Bonds4

About N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride

N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119566804) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119566804
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-12(2,3)11(18)15-8-10(17)16-13(9-14)6-4-5-7-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyNUJPSKTUUDSSPV-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
N-[1-[[1-(aminomethyl)cyclopentyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119567720
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 80711591
N-[1-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119566219
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119565780
N-(1-ethylcyclopentyl)-2,2-dimethylpropanamide
CID 58542277

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride (CID 119566804) is N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)NCC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is NUJPSKTUUDSSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-12(2,3)11(18)15-8-10(17)16-13(9-14)6-4-5-7-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119566804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).