(2E)-2-ethylidene-4-methanimidoylhexanamide

C9H16N2O — CID 167093885

IUPAC(2E)-2-ethylidene-4-methanimidoylhexanamide
SMILES[H]/N=C/C(CC)C/C(=C\C)C(N)=O
InChIInChI=1S/C9H16N2O/c1-3-7(6-10)5-8(4-2)9(11)12/h4,6-7,10H,3,5H2,1-2H3,(H2,11,12)/b8-4+,10-6+
InChIKeyKODYUQJJDQBGGJ-GZFKCFCKSA-N
MW168.24 g/mol
LogP1.48
Rot. Bonds5

About (2E)-2-ethylidene-4-methanimidoylhexanamide

(2E)-2-ethylidene-4-methanimidoylhexanamide (PubChem CID 167093885) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E)-2-ethylidene-4-methanimidoylhexanamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-4-methanimidoylhexanamide
PubChem CID167093885
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2E)-2-ethylidene-4-methanimidoylhexanamide
SMILES[H]/N=C/C(CC)C/C(=C\C)C(N)=O
InChIInChI=1S/C9H16N2O/c1-3-7(6-10)5-8(4-2)9(11)12/h4,6-7,10H,3,5H2,1-2H3,(H2,11,12)/b8-4+,10-6+
InChIKeyKODYUQJJDQBGGJ-GZFKCFCKSA-N
XLogP1.48
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-ethylidene-4-methanimidoylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793
(4R)-4-methanimidoylhexanal
CID 174567624
4-carbamoyl-2-methylhex-4-enoic acid
CID 58121306
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
ethyl 2-methanimidoylbutanoate
CID 90815324
(2S)-2-methanimidoylbutanoic acid;hydrochloride
CID 174755849
(2S)-2-methanimidoyl-N,N-dimethylbutan-1-amine;dihydrochloride
CID 174435575
[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
CID 174590998
2-ethylideneoctadecanamide
CID 141119567
2-(hydroxymethyl)-3-iminopropanamide
CID 123742041
[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
CID 174605763
2-methanimidoylhexanoic acid
CID 54460602

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-4-methanimidoylhexanamide?
The IUPAC name of (2E)-2-ethylidene-4-methanimidoylhexanamide (CID 167093885) is (2E)-2-ethylidene-4-methanimidoylhexanamide.
What is the SMILES notation for (2E)-2-ethylidene-4-methanimidoylhexanamide?
The canonical SMILES for (2E)-2-ethylidene-4-methanimidoylhexanamide is [H]/N=C/C(CC)C/C(=C\C)C(N)=O.
What is the InChIKey of (2E)-2-ethylidene-4-methanimidoylhexanamide?
The InChIKey is KODYUQJJDQBGGJ-GZFKCFCKSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-7(6-10)5-8(4-2)9(11)12/h4,6-7,10H,3,5H2,1-2H3,(H2,11,12)/b8-4+,10-6+.
What are the key properties of (2E)-2-ethylidene-4-methanimidoylhexanamide?
(2E)-2-ethylidene-4-methanimidoylhexanamide has a molecular weight of 168.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-4-methanimidoylhexanamide is sourced from PubChem (CID 167093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).