N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine

C10H15N — CID 123405687

IUPACN-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine
SMILESC=C(/N=C/C)/C(C)=C/C=CC
InChIInChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,4H2,1-3H3/b7-5?,9-8+,11-6+
InChIKeyYOLNWTDMZHXLQB-FFIVBXBISA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine

N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine (PubChem CID 123405687) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine
PubChem CID123405687
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine
SMILESC=C(/N=C/C)/C(C)=C/C=CC
InChIInChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,4H2,1-3H3/b7-5?,9-8+,11-6+
InChIKeyYOLNWTDMZHXLQB-FFIVBXBISA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311
N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
CID 142004197
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
(2E,4Z)-2-ethenyl-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]hexa-2,4-dien-1-imine
CID 144102729
N-[(3Z)-2-(fluoromethyl)hepta-1,3,6-trien-4-yl]ethanimine
CID 144356598
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
CID 59839732
5-methyl-6H-cyclopenta[b]pyridine
CID 59944708
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine?
The IUPAC name of N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine (CID 123405687) is N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine.
What is the SMILES notation for N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine?
The canonical SMILES for N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine is C=C(/N=C/C)/C(C)=C/C=CC.
What is the InChIKey of N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine?
The InChIKey is YOLNWTDMZHXLQB-FFIVBXBISA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5-8H,4H2,1-3H3/b7-5?,9-8+,11-6+.
What are the key properties of N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine?
N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine is sourced from PubChem (CID 123405687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).