N-(4-methylpentan-2-ylideneamino)propanamide

C9H18N2O — CID 54143465

IUPACN-(4-methylpentan-2-ylideneamino)propanamide
SMILESCCC(=O)NN=C(C)CC(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(12)11-10-8(4)6-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyOCRYDJFZKYIYEO-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.93
Rot. Bonds4

About N-(4-methylpentan-2-ylideneamino)propanamide

N-(4-methylpentan-2-ylideneamino)propanamide (PubChem CID 54143465) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(4-methylpentan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-ylideneamino)propanamide
PubChem CID54143465
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(4-methylpentan-2-ylideneamino)propanamide
SMILESCCC(=O)NN=C(C)CC(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(12)11-10-8(4)6-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyOCRYDJFZKYIYEO-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-5-pyrazolone
CID 97947
3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
CID 3098809
N',N''-cyclohexane-1,4-diylidenebis(2-methylpropanehydrazide)
CID 781793
N-[(E)-1-cyclohexylethylideneamino]acetamide
CID 10932071
4,6-Dimethyl-4,5-dihydropyridazin-3(2H)-one
CID 13295913
N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 14338854
N'-[(2E)-3-methylbutan-2-ylidene]cyclopropanecarbohydrazide
CID 9678038
Acethydrazide, N2-(1,2-dimethylpropylideno)-
CID 9602428
2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide
CID 13017040
3-Ethyl-4-methyl-1,4-dihydropyrazol-5-one
CID 13040304
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 100973182
N-[(E)-5-methylhexan-2-ylideneamino]acetamide
CID 134896934

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-ylideneamino)propanamide?
The IUPAC name of N-(4-methylpentan-2-ylideneamino)propanamide (CID 54143465) is N-(4-methylpentan-2-ylideneamino)propanamide.
What is the SMILES notation for N-(4-methylpentan-2-ylideneamino)propanamide?
The canonical SMILES for N-(4-methylpentan-2-ylideneamino)propanamide is CCC(=O)NN=C(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-ylideneamino)propanamide?
The InChIKey is OCRYDJFZKYIYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(12)11-10-8(4)6-7(2)3/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-(4-methylpentan-2-ylideneamino)propanamide?
N-(4-methylpentan-2-ylideneamino)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-ylideneamino)propanamide is sourced from PubChem (CID 54143465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).