N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride

C16H35Cl2N3O — CID 119566129

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)NC1(CN)CCCC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-3-11-19(12-4-2)13-7-8-15(20)18-16(14-17)9-5-6-10-16;;/h3-14,17H2,1-2H3,(H,18,20);2*1H
InChIKeyROUJEEFHZKGHOP-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.12
Rot. Bonds10

About N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride (PubChem CID 119566129) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
PubChem CID119566129
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)NC1(CN)CCCC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-3-11-19(12-4-2)13-7-8-15(20)18-16(14-17)9-5-6-10-16;;/h3-14,17H2,1-2H3,(H,18,20);2*1H
InChIKeyROUJEEFHZKGHOP-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
CID 119565662
N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
CID 119568512
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119566219
N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
CID 119566629
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride (CID 119566129) is N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride is CCCN(CCC)CCCC(=O)NC1(CN)CCCC1.Cl.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The InChIKey is ROUJEEFHZKGHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-3-11-19(12-4-2)13-7-8-15(20)18-16(14-17)9-5-6-10-16;;/h3-14,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).