N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride

C13H26ClN3O2 — CID 119604127

IUPACN'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-8-15-12(17)6-7-13(18)16-11-5-3-4-10(11)9-14;/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyXNZLEYCKZIPQEJ-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.96
Rot. Bonds7

About N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride

N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride (PubChem CID 119604127) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
PubChem CID119604127
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-8-15-12(17)6-7-13(18)16-11-5-3-4-10(11)9-14;/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyXNZLEYCKZIPQEJ-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119602045
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119602359
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride?
The IUPAC name of N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride (CID 119604127) is N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride.
What is the SMILES notation for N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride?
The canonical SMILES for N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride?
The InChIKey is XNZLEYCKZIPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-2-8-15-12(17)6-7-13(18)16-11-5-3-4-10(11)9-14;/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride?
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride is sourced from PubChem (CID 119604127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).