N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride

C7H15ClN2O — CID 10375005

IUPACN-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NCCCN.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H
InChIKeyXHIRWEVPYCTARV-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.45
Rot. Bonds4

About N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride

N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride (PubChem CID 10375005) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride
PubChem CID10375005
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC NameN-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NCCCN.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H
InChIKeyXHIRWEVPYCTARV-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride (CID 10375005) is N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride is C=C(C)C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride?
The InChIKey is XHIRWEVPYCTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H.
What are the key properties of N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride?
N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 10375005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).