4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide

C10H20N2O — CID 140915576

IUPAC4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
SMILESCC(C)C/N=C(\N)CC(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)6-12-10(11)5-9(13)8(3)4/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyYELWHCXIOOKPOC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.61
Rot. Bonds5

About 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide

4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide (PubChem CID 140915576) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide.

Molecular Properties

Compound Name4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
PubChem CID140915576
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
SMILESCC(C)C/N=C(\N)CC(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)6-12-10(11)5-9(13)8(3)4/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyYELWHCXIOOKPOC-UHFFFAOYSA-N
XLogP1.61
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methyl-5-oxohexyl)ethanimidamide
CID 58871599
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one
CID 70138590
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
CID 70138595
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
CID 70140805
2-[(2R)-2,4-dimethyl-3-oxopentyl]guanidine
CID 88556886
2-[(2S)-2,4-dimethyl-3-oxopentyl]guanidine
CID 88556887
2-(2,4-Dimethyl-3-oxopentyl)guanidine
CID 88556888
2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-methyl-3-oxohexyl)ethanimidamide
CID 121478455
N'-[(4S)-4-methyl-5-oxohexyl]ethanimidamide
CID 122693351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide?
The IUPAC name of 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide (CID 140915576) is 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide.
What is the SMILES notation for 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide?
The canonical SMILES for 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide is CC(C)C/N=C(\N)CC(=O)C(C)C.
What is the InChIKey of 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide?
The InChIKey is YELWHCXIOOKPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)6-12-10(11)5-9(13)8(3)4/h7-8H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide?
4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide is sourced from PubChem (CID 140915576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).