2-methyl-N'-(4-oxohexyl)propanimidamide

C10H20N2O — CID 123806153

IUPAC2-methyl-N'-(4-oxohexyl)propanimidamide
SMILESCCC(=O)CCC/N=C(\N)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-9(13)6-5-7-12-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyIYKJZGSBJBNVHE-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.76
Rot. Bonds6

About 2-methyl-N'-(4-oxohexyl)propanimidamide

2-methyl-N'-(4-oxohexyl)propanimidamide (PubChem CID 123806153) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-N'-(4-oxohexyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(4-oxohexyl)propanimidamide
PubChem CID123806153
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-N'-(4-oxohexyl)propanimidamide
SMILESCCC(=O)CCC/N=C(\N)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-9(13)6-5-7-12-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyIYKJZGSBJBNVHE-UHFFFAOYSA-N
XLogP1.76
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Methyl-4-oxohexyl)guanidine
CID 58678943
N'-(4-methyl-5-oxohexyl)ethanimidamide
CID 58871599
N'-(4-oxopentyl)ethanimidamide
CID 59109217
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-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
CID 118636674
N'-(4-methyl-3-oxohexyl)ethanimidamide
CID 121478455
N'-[(4S)-4-methyl-5-oxohexyl]ethanimidamide
CID 122693351
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-oxohexyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(4-oxohexyl)propanimidamide (CID 123806153) is 2-methyl-N'-(4-oxohexyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(4-oxohexyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(4-oxohexyl)propanimidamide is CCC(=O)CCC/N=C(\N)C(C)C.
What is the InChIKey of 2-methyl-N'-(4-oxohexyl)propanimidamide?
The InChIKey is IYKJZGSBJBNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(13)6-5-7-12-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-N'-(4-oxohexyl)propanimidamide?
2-methyl-N'-(4-oxohexyl)propanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-oxohexyl)propanimidamide is sourced from PubChem (CID 123806153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).