3-methylimino-N-propan-2-ylpentanamide

C9H18N2O — CID 58790152

IUPAC3-methylimino-N-propan-2-ylpentanamide
SMILESCC/C(CC(=O)NC(C)C)=N\C
InChIInChI=1S/C9H18N2O/c1-5-8(10-4)6-9(12)11-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+
InChIKeyIYNAFIIQGYSSPN-CSKARUKUSA-N
MW170.26 g/mol
LogP1.38
Rot. Bonds4

About 3-methylimino-N-propan-2-ylpentanamide

3-methylimino-N-propan-2-ylpentanamide (PubChem CID 58790152) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methylimino-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name3-methylimino-N-propan-2-ylpentanamide
PubChem CID58790152
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methylimino-N-propan-2-ylpentanamide
SMILESCC/C(CC(=O)NC(C)C)=N\C
InChIInChI=1S/C9H18N2O/c1-5-8(10-4)6-9(12)11-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+
InChIKeyIYNAFIIQGYSSPN-CSKARUKUSA-N
XLogP1.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-imino-N-methyl-4-propyliminopentanamide
CID 91520968
Pentanamide, N-isopropyl
CID 528623
N-pentan-2-ylpentanamide
CID 4629842
N-pentan-3-ylpentanamide
CID 4629845
N-butan-2-ylpentanamide
CID 5147467
N-butan-2-yl-2-methyliminopropanamide
CID 20701559
N-cyclopentyl-3-iminobutanamide
CID 53654287
3-imino-N-[4-(3-iminobutanoylamino)butyl]butanamide
CID 53788926
2-ethylimino-N-propan-2-ylpropanamide
CID 53829858
3-imino-N-propylbutanamide
CID 53851975
3-imino-N-[6-(3-iminobutanoylamino)hexyl]butanamide
CID 53943234
3-imino-N-propan-2-ylbutanamide
CID 54134004

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-N-propan-2-ylpentanamide?
The IUPAC name of 3-methylimino-N-propan-2-ylpentanamide (CID 58790152) is 3-methylimino-N-propan-2-ylpentanamide.
What is the SMILES notation for 3-methylimino-N-propan-2-ylpentanamide?
The canonical SMILES for 3-methylimino-N-propan-2-ylpentanamide is CC/C(CC(=O)NC(C)C)=N\C.
What is the InChIKey of 3-methylimino-N-propan-2-ylpentanamide?
The InChIKey is IYNAFIIQGYSSPN-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-8(10-4)6-9(12)11-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+.
What are the key properties of 3-methylimino-N-propan-2-ylpentanamide?
3-methylimino-N-propan-2-ylpentanamide has a molecular weight of 170.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-N-propan-2-ylpentanamide is sourced from PubChem (CID 58790152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).