N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride

C11H23ClN2O2 — CID 119601417

IUPACN-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
SMILESCOCCCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-15-7-3-6-11(14)13-10-5-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyURBUABHUFCXMJA-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.08
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride (PubChem CID 119601417) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
PubChem CID119601417
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
SMILESCOCCCC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-15-7-3-6-11(14)13-10-5-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyURBUABHUFCXMJA-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]-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]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride (CID 119601417) is N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride is COCCCC(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride?
The InChIKey is URBUABHUFCXMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-15-7-3-6-11(14)13-10-5-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.08, 6 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-methoxybutanamide;hydrochloride is sourced from PubChem (CID 119601417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).