N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride

C13H23ClN2O — CID 119613963

IUPACN-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-3-5-11(6-4-2)13(16)15-12(9-14)10-7-8-10;/h3-4,10-12H,1-2,5-9,14H2,(H,15,16);1H
InChIKeyNRXJGVKLGIVVNW-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.03
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride (PubChem CID 119613963) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
PubChem CID119613963
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-3-5-11(6-4-2)13(16)15-12(9-14)10-7-8-10;/h3-4,10-12H,1-2,5-9,14H2,(H,15,16);1H
InChIKeyNRXJGVKLGIVVNW-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 119613815
N-(2-amino-1-cyclopropylethyl)-2-(cyclohexylmethyl)pentanamide
CID 119615833
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119475517
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119614689
N-(2-amino-1-cyclohexylethyl)-2-ethylhexanamide
CID 81486044
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
CID 107472588
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
N-(2-amino-1-cyclopropylethyl)-N',N'-dimethylpropanediamide;hydrochloride
CID 119613235
(2S)-N-(2-amino-1-cyclopropylethyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119615222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride (CID 119613963) is N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The InChIKey is NRXJGVKLGIVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-3-5-11(6-4-2)13(16)15-12(9-14)10-7-8-10;/h3-4,10-12H,1-2,5-9,14H2,(H,15,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride is sourced from PubChem (CID 119613963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).