N,2-dimethylhexa-1,4-dien-3-imine

C8H13N — CID 90892496

IUPACN,2-dimethylhexa-1,4-dien-3-imine
SMILESC=C(C)/C(C=CC)=N/C
InChIInChI=1S/C8H13N/c1-5-6-8(9-4)7(2)3/h5-6H,2H2,1,3-4H3/b6-5?,9-8+
InChIKeyUSNXCWDRDBCKSC-WVJVIZISSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About N,2-dimethylhexa-1,4-dien-3-imine

N,2-dimethylhexa-1,4-dien-3-imine (PubChem CID 90892496) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,2-dimethylhexa-1,4-dien-3-imine.

Molecular Properties

Compound NameN,2-dimethylhexa-1,4-dien-3-imine
PubChem CID90892496
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,2-dimethylhexa-1,4-dien-3-imine
SMILESC=C(C)/C(C=CC)=N/C
InChIInChI=1S/C8H13N/c1-5-6-8(9-4)7(2)3/h5-6H,2H2,1,3-4H3/b6-5?,9-8+
InChIKeyUSNXCWDRDBCKSC-WVJVIZISSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-dimethylhexa-1,4-dien-3-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

6-Ethyl-2,3-dihydropyridine
CID 58693567
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylhexa-1,4-dien-3-imine?
The IUPAC name of N,2-dimethylhexa-1,4-dien-3-imine (CID 90892496) is N,2-dimethylhexa-1,4-dien-3-imine.
What is the SMILES notation for N,2-dimethylhexa-1,4-dien-3-imine?
The canonical SMILES for N,2-dimethylhexa-1,4-dien-3-imine is C=C(C)/C(C=CC)=N/C.
What is the InChIKey of N,2-dimethylhexa-1,4-dien-3-imine?
The InChIKey is USNXCWDRDBCKSC-WVJVIZISSA-N. The full InChI is InChI=1S/C8H13N/c1-5-6-8(9-4)7(2)3/h5-6H,2H2,1,3-4H3/b6-5?,9-8+.
What are the key properties of N,2-dimethylhexa-1,4-dien-3-imine?
N,2-dimethylhexa-1,4-dien-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylhexa-1,4-dien-3-imine is sourced from PubChem (CID 90892496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).