N-(2-aminopropyl)prop-2-enamide

C6H12N2O — CID 19993421

IUPACN-(2-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)N
InChIInChI=1S/C6H12N2O/c1-3-6(9)8-4-5(2)7/h3,5H,1,4,7H2,2H3,(H,8,9)
InChIKeyIOGKLTAKFFMNQR-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds3

About N-(2-aminopropyl)prop-2-enamide

N-(2-aminopropyl)prop-2-enamide (PubChem CID 19993421) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(2-aminopropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminopropyl)prop-2-enamide
PubChem CID19993421
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(2-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)N
InChIInChI=1S/C6H12N2O/c1-3-6(9)8-4-5(2)7/h3,5H,1,4,7H2,2H3,(H,8,9)
InChIKeyIOGKLTAKFFMNQR-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
N-(2-aminopropyl)but-3-enamide
CID 63731694
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
sodium 3-methyl-4-(prop-2-enoylamino)butanoate
CID 175047548
N-(2-aminopropyl)-2-cyclopentylideneacetamide
CID 130735447
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)prop-2-enamide?
The IUPAC name of N-(2-aminopropyl)prop-2-enamide (CID 19993421) is N-(2-aminopropyl)prop-2-enamide.
What is the SMILES notation for N-(2-aminopropyl)prop-2-enamide?
The canonical SMILES for N-(2-aminopropyl)prop-2-enamide is C=CC(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)prop-2-enamide?
The InChIKey is IOGKLTAKFFMNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-6(9)8-4-5(2)7/h3,5H,1,4,7H2,2H3,(H,8,9).
What are the key properties of N-(2-aminopropyl)prop-2-enamide?
N-(2-aminopropyl)prop-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)prop-2-enamide is sourced from PubChem (CID 19993421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).