3-(propan-2-ylamino)-N-prop-2-enylpropanamide

C9H18N2O — CID 60854867

IUPAC3-(propan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNC(C)C
InChIInChI=1S/C9H18N2O/c1-4-6-11-9(12)5-7-10-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyOZURKZMAQJFKRS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds6

About 3-(propan-2-ylamino)-N-prop-2-enylpropanamide

3-(propan-2-ylamino)-N-prop-2-enylpropanamide (PubChem CID 60854867) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-prop-2-enylpropanamide
PubChem CID60854867
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(propan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNC(C)C
InChIInChI=1S/C9H18N2O/c1-4-6-11-9(12)5-7-10-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyOZURKZMAQJFKRS-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-prop-2-enylpropanamide (CID 60854867) is 3-(propan-2-ylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCNC(C)C.
What is the InChIKey of 3-(propan-2-ylamino)-N-prop-2-enylpropanamide?
The InChIKey is OZURKZMAQJFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-6-11-9(12)5-7-10-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 3-(propan-2-ylamino)-N-prop-2-enylpropanamide?
3-(propan-2-ylamino)-N-prop-2-enylpropanamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 60854867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).