(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine

C10H15N — CID 90745174

IUPAC(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine
SMILES[H]/N=C(C)/C(C)=C(\C)C(C)=C=C
InChIInChI=1S/C10H15N/c1-6-7(2)8(3)9(4)10(5)11/h11H,1H2,2-5H3/b9-8+,11-10+
InChIKeyULDBOARISGWBMW-BNFZFUHLSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds2

About (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine

(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine (PubChem CID 90745174) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine.

Molecular Properties

Compound Name(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine
PubChem CID90745174
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine
SMILES[H]/N=C(C)/C(C)=C(\C)C(C)=C=C
InChIInChI=1S/C10H15N/c1-6-7(2)8(3)9(4)10(5)11/h11H,1H2,2-5H3/b9-8+,11-10+
InChIKeyULDBOARISGWBMW-BNFZFUHLSA-N
XLogP3.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine 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

2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3E)-3,5-dimethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 129199857
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(6E)-6-ethylidene-5-fluoro-3-methylcyclohexa-2,4-dien-1-imine
CID 144524442
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
4-Fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 155221501
(3E)-3-ethyl-1,1,4-trifluoro-5-methylhexa-3,5-dien-2-imine
CID 162562421
(3Z)-5-methyl-3,4-bis(trifluoromethyl)hexa-3,5-dien-2-imine
CID 162605638

Frequently Asked Questions

What is the IUPAC name of (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine?
The IUPAC name of (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine (CID 90745174) is (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine.
What is the SMILES notation for (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine?
The canonical SMILES for (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine is [H]/N=C(C)/C(C)=C(\C)C(C)=C=C.
What is the InChIKey of (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine?
The InChIKey is ULDBOARISGWBMW-BNFZFUHLSA-N. The full InChI is InChI=1S/C10H15N/c1-6-7(2)8(3)9(4)10(5)11/h11H,1H2,2-5H3/b9-8+,11-10+.
What are the key properties of (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine?
(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine is sourced from PubChem (CID 90745174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).