N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride

C16H35Cl2N3O — CID 119602223

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)NC1CCCC1CN.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-3-10-19(11-4-2)12-6-9-16(20)18-15-8-5-7-14(15)13-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyDDDXQWIQQUPUAH-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.98
Rot. Bonds10

About N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride (PubChem CID 119602223) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
PubChem CID119602223
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)NC1CCCC1CN.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-3-10-19(11-4-2)12-6-9-16(20)18-15-8-5-7-14(15)13-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyDDDXQWIQQUPUAH-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119601555
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119602359

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride (CID 119602223) is N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride is CCCN(CCC)CCCC(=O)NC1CCCC1CN.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
The InChIKey is DDDXQWIQQUPUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-3-10-19(11-4-2)12-6-9-16(20)18-15-8-5-7-14(15)13-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119602223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).