N-propan-2-ylprop-2-enamide;prop-2-en-1-amine

C9H18N2O — CID 174516736

IUPACN-propan-2-ylprop-2-enamide;prop-2-en-1-amine
SMILESC=CC(=O)NC(C)C.C=CCN
InChIInChI=1S/C6H11NO.C3H7N/c1-4-6(8)7-5(2)3;1-2-3-4/h4-5H,1H2,2-3H3,(H,7,8);2H,1,3-4H2
InChIKeyCRUVEEIPQZEXLO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.83
Rot. Bonds3

About N-propan-2-ylprop-2-enamide;prop-2-en-1-amine

N-propan-2-ylprop-2-enamide;prop-2-en-1-amine (PubChem CID 174516736) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-ylprop-2-enamide;prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-ylprop-2-enamide;prop-2-en-1-amine
PubChem CID174516736
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-propan-2-ylprop-2-enamide;prop-2-en-1-amine
SMILESC=CC(=O)NC(C)C.C=CCN
InChIInChI=1S/C6H11NO.C3H7N/c1-4-6(8)7-5(2)3;1-2-3-4/h4-5H,1H2,2-3H3,(H,7,8);2H,1,3-4H2
InChIKeyCRUVEEIPQZEXLO-UHFFFAOYSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-ylprop-2-enamide;prop-2-en-1-amine 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-propan-2-ylprop-2-enamide;prop-2-en-1-amine?
The IUPAC name of N-propan-2-ylprop-2-enamide;prop-2-en-1-amine (CID 174516736) is N-propan-2-ylprop-2-enamide;prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-ylprop-2-enamide;prop-2-en-1-amine?
The canonical SMILES for N-propan-2-ylprop-2-enamide;prop-2-en-1-amine is C=CC(=O)NC(C)C.C=CCN.
What is the InChIKey of N-propan-2-ylprop-2-enamide;prop-2-en-1-amine?
The InChIKey is CRUVEEIPQZEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H7N/c1-4-6(8)7-5(2)3;1-2-3-4/h4-5H,1H2,2-3H3,(H,7,8);2H,1,3-4H2.
What are the key properties of N-propan-2-ylprop-2-enamide;prop-2-en-1-amine?
N-propan-2-ylprop-2-enamide;prop-2-en-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-enamide;prop-2-en-1-amine is sourced from PubChem (CID 174516736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).