(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide

C9H15N3 — CID 123990994

IUPAC(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
SMILES[H]/N=C(N)/C(=C/C)C(/C=C(C)C)=N/[H]
InChIInChI=1S/C9H15N3/c1-4-7(9(11)12)8(10)5-6(2)3/h4-5,10H,1-3H3,(H3,11,12)/b7-4+,10-8+
InChIKeyPXYOJUJNJZMGEF-DAAQNPAKSA-N
MW165.24 g/mol
LogP1.85
Rot. Bonds3

About (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide

(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide (PubChem CID 123990994) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
PubChem CID123990994
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
SMILES[H]/N=C(N)/C(=C/C)C(/C=C(C)C)=N/[H]
InChIInChI=1S/C9H15N3/c1-4-7(9(11)12)8(10)5-6(2)3/h4-5,10H,1-3H3,(H3,11,12)/b7-4+,10-8+
InChIKeyPXYOJUJNJZMGEF-DAAQNPAKSA-N
XLogP1.85
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide 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

(Z)-2-propan-2-ylhex-2-enimidamide
CID 88782432
(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine
CID 91336852
2-Ethanimidoyl-3-methylbut-2-enimidamide
CID 91356072
N-[(E)-3-methylpent-3-en-2-ylidene]ethanimidamide
CID 117662528
4-Iminocyclohexene-1-carboximidamide
CID 123204124
4-Iminocycloheptene-1-carboximidamide
CID 123413131
3-Methylhept-3-ene-2,6-diimine
CID 123609238
(E)-2-propylpent-2-enimidamide
CID 123835678
N-(4-methylpent-3-en-2-ylidene)ethanimidamide
CID 141985922
(E)-2-ethylbut-2-enimidamide
CID 145002073
ethane;(2Z,5Z)-3-ethenyl-4-imino-2-methylhepta-2,5-dienimidamide
CID 145412730
(2Z)-2-ethylidene-3-iminoheptanimidamide
CID 145611684

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide?
The IUPAC name of (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide (CID 123990994) is (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide.
What is the SMILES notation for (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide?
The canonical SMILES for (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide is [H]/N=C(N)/C(=C/C)C(/C=C(C)C)=N/[H].
What is the InChIKey of (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide?
The InChIKey is PXYOJUJNJZMGEF-DAAQNPAKSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7(9(11)12)8(10)5-6(2)3/h4-5,10H,1-3H3,(H3,11,12)/b7-4+,10-8+.
What are the key properties of (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide?
(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide is sourced from PubChem (CID 123990994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).