N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride

C13H25ClN2O2 — CID 119566629

IUPACN-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-9-17-10-5-6-12(16)15-13(11-14)7-3-4-8-13;/h2H,1,3-11,14H2,(H,15,16);1H
InChIKeyGEDALVOJNUCSNY-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.78
Rot. Bonds8

About N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride (PubChem CID 119566629) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
PubChem CID119566629
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-9-17-10-5-6-12(16)15-13(11-14)7-3-4-8-13;/h2H,1,3-11,14H2,(H,15,16);1H
InChIKeyGEDALVOJNUCSNY-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide
CID 119568384
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
CID 119565662
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119566129
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893
N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
CID 120506402
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119565474

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride (CID 119566629) is N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride is C=CCOCCCC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride?
The InChIKey is GEDALVOJNUCSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-2-9-17-10-5-6-12(16)15-13(11-14)7-3-4-8-13;/h2H,1,3-11,14H2,(H,15,16);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.78, 8 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-prop-2-enoxybutanamide;hydrochloride is sourced from PubChem (CID 119566629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).