N-(2-methylhexa-1,4-dienyl)ethanimine

C9H15N — CID 91148359

IUPACN-(2-methylhexa-1,4-dienyl)ethanimine
SMILESCC=CCC(C)=C/N=C/C
InChIInChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4-6,8H,7H2,1-3H3/b6-4?,9-8?,10-5+
InChIKeyKGIZTZGAMRPYBC-FSSSEWQVSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-(2-methylhexa-1,4-dienyl)ethanimine

N-(2-methylhexa-1,4-dienyl)ethanimine (PubChem CID 91148359) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2-methylhexa-1,4-dienyl)ethanimine.

Molecular Properties

Compound NameN-(2-methylhexa-1,4-dienyl)ethanimine
PubChem CID91148359
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2-methylhexa-1,4-dienyl)ethanimine
SMILESCC=CCC(C)=C/N=C/C
InChIInChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4-6,8H,7H2,1-3H3/b6-4?,9-8?,10-5+
InChIKeyKGIZTZGAMRPYBC-FSSSEWQVSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine
CID 166907410
3,6-dimethyl-3H-azepine
CID 10103165
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
6-propyl-3H-azepine
CID 53671035
CID 54211489
CID 54211489
4H-2-benzazepine
CID 54406986
CID 54466007
CID 54466007
5,6-dimethyl-3H-azepine
CID 54481058
N-propylhex-2-en-1-imine
CID 57162826
4-prop-1-enyl-3H-pyrrole
CID 58091270
(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
CID 59876418

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexa-1,4-dienyl)ethanimine?
The IUPAC name of N-(2-methylhexa-1,4-dienyl)ethanimine (CID 91148359) is N-(2-methylhexa-1,4-dienyl)ethanimine.
What is the SMILES notation for N-(2-methylhexa-1,4-dienyl)ethanimine?
The canonical SMILES for N-(2-methylhexa-1,4-dienyl)ethanimine is CC=CCC(C)=C/N=C/C.
What is the InChIKey of N-(2-methylhexa-1,4-dienyl)ethanimine?
The InChIKey is KGIZTZGAMRPYBC-FSSSEWQVSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4-6,8H,7H2,1-3H3/b6-4?,9-8?,10-5+.
What are the key properties of N-(2-methylhexa-1,4-dienyl)ethanimine?
N-(2-methylhexa-1,4-dienyl)ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexa-1,4-dienyl)ethanimine is sourced from PubChem (CID 91148359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).