2-methyl-N'-(3-oxopentyl)butanimidamide

C10H20N2O — CID 90692878

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

About 2-methyl-N'-(3-oxopentyl)butanimidamide

2-methyl-N'-(3-oxopentyl)butanimidamide (PubChem CID 90692878) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-N'-(3-oxopentyl)butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(3-oxopentyl)butanimidamide
PubChem CID90692878
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-N'-(3-oxopentyl)butanimidamide
SMILESCCC(=O)CC/N=C(\N)C(C)CC
InChIInChI=1S/C10H20N2O/c1-4-8(3)10(11)12-7-6-9(13)5-2/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyLGBQVLOWKYODGS-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-methyl-3-oxohexyl)ethanimidamide
CID 121478455
2-cyano-N',4-dimethyl-3-oxopentanimidamide
CID 123328316
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide
CID 123778640
2-methyl-N'-(4-oxohexyl)propanimidamide
CID 123806153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-oxopentyl)butanimidamide?
The IUPAC name of 2-methyl-N'-(3-oxopentyl)butanimidamide (CID 90692878) is 2-methyl-N'-(3-oxopentyl)butanimidamide.
What is the SMILES notation for 2-methyl-N'-(3-oxopentyl)butanimidamide?
The canonical SMILES for 2-methyl-N'-(3-oxopentyl)butanimidamide is CCC(=O)CC/N=C(\N)C(C)CC.
What is the InChIKey of 2-methyl-N'-(3-oxopentyl)butanimidamide?
The InChIKey is LGBQVLOWKYODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-8(3)10(11)12-7-6-9(13)5-2/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-N'-(3-oxopentyl)butanimidamide?
2-methyl-N'-(3-oxopentyl)butanimidamide 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'-(3-oxopentyl)butanimidamide is sourced from PubChem (CID 90692878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).