(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide

C10H13BrN2 — CID 137487756

IUPAC(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide
SMILES[H]/N=C(N=C)/C(/C=C\C=C\CBr)=C/C
InChIInChI=1S/C10H13BrN2/c1-3-9(10(12)13-2)7-5-4-6-8-11/h3-7,12H,2,8H2,1H3/b6-4+,7-5-,9-3+,12-10-
InChIKeyRVGIJPAHBOKZHF-UCIJSIBHSA-N
MW241.13 g/mol
LogP3.12
Rot. Bonds4

About (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide

(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide (PubChem CID 137487756) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide.

Molecular Properties

Compound Name(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide
PubChem CID137487756
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide
SMILES[H]/N=C(N=C)/C(/C=C\C=C\CBr)=C/C
InChIInChI=1S/C10H13BrN2/c1-3-9(10(12)13-2)7-5-4-6-8-11/h3-7,12H,2,8H2,1H3/b6-4+,7-5-,9-3+,12-10-
InChIKeyRVGIJPAHBOKZHF-UCIJSIBHSA-N
XLogP3.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide 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

4-ethylidenehept-5-en-3-imine
CID 123855505
3-amino-2-iodo-N-methylideneprop-2-enimidamide
CID 153028028
2-bromo-N-methylidene-3-(2-prop-2-enylhydrazinyl)prop-2-enimidamide
CID 174087559
(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
CID 166982153
N-(4-bromo-3-methylsulfanylbut-2-en-2-yl)methanimine
CID 91325584
3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide
CID 173476198
1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
(Z)-hept-5-ene-3,4-diimine
CID 123802177
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
(E)-3-[(Z)-3-bromoprop-1-enyl]hex-3-en-2-one;ethene
CID 144806121
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 145093627

Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide?
The IUPAC name of (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide (CID 137487756) is (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide.
What is the SMILES notation for (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide?
The canonical SMILES for (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide is [H]/N=C(N=C)/C(/C=C\C=C\CBr)=C/C.
What is the InChIKey of (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide?
The InChIKey is RVGIJPAHBOKZHF-UCIJSIBHSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-3-9(10(12)13-2)7-5-4-6-8-11/h3-7,12H,2,8H2,1H3/b6-4+,7-5-,9-3+,12-10-.
What are the key properties of (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide?
(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide has a molecular weight of 241.13 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide is sourced from PubChem (CID 137487756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).