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

C12H23ClN2O — CID 119626920

IUPACN-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-5-7-10(8-6-2)11(15)14-9-12(3,4)13;/h5-6,10H,1-2,7-9,13H2,3-4H3,(H,14,15);1H
InChIKeySBNHTEQQVQTEOG-UHFFFAOYSA-N
MW246.78 g/mol
LogP2.03
Rot. Bonds7

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

N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride (PubChem CID 119626920) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride
PubChem CID119626920
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-5-7-10(8-6-2)11(15)14-9-12(3,4)13;/h5-6,10H,1-2,7-9,13H2,3-4H3,(H,14,15);1H
InChIKeySBNHTEQQVQTEOG-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride (CID 119626920) is N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The InChIKey is SBNHTEQQVQTEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-5-7-10(8-6-2)11(15)14-9-12(3,4)13;/h5-6,10H,1-2,7-9,13H2,3-4H3,(H,14,15);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-prop-2-enylpent-4-enamide;hydrochloride is sourced from PubChem (CID 119626920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).