2-methylidene-3-(propan-2-ylamino)pentanamide

C9H18N2O — CID 21428483

IUPAC2-methylidene-3-(propan-2-ylamino)pentanamide
SMILESC=C(C(N)=O)C(CC)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-8(11-6(2)3)7(4)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyJXJKUZCQCWVBIE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.80
Rot. Bonds5

About 2-methylidene-3-(propan-2-ylamino)pentanamide

2-methylidene-3-(propan-2-ylamino)pentanamide (PubChem CID 21428483) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methylidene-3-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name2-methylidene-3-(propan-2-ylamino)pentanamide
PubChem CID21428483
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methylidene-3-(propan-2-ylamino)pentanamide
SMILESC=C(C(N)=O)C(CC)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-8(11-6(2)3)7(4)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyJXJKUZCQCWVBIE-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(propan-2-ylamino)pentanamide?
The IUPAC name of 2-methylidene-3-(propan-2-ylamino)pentanamide (CID 21428483) is 2-methylidene-3-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 2-methylidene-3-(propan-2-ylamino)pentanamide?
The canonical SMILES for 2-methylidene-3-(propan-2-ylamino)pentanamide is C=C(C(N)=O)C(CC)NC(C)C.
What is the InChIKey of 2-methylidene-3-(propan-2-ylamino)pentanamide?
The InChIKey is JXJKUZCQCWVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-8(11-6(2)3)7(4)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 2-methylidene-3-(propan-2-ylamino)pentanamide?
2-methylidene-3-(propan-2-ylamino)pentanamide has a molecular weight of 170.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 21428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).