N,3-dimethylocta-2,4,6-trien-1-imine

C10H15N — CID 123796424

IUPACN,3-dimethylocta-2,4,6-trien-1-imine
SMILESCC=CC=CC(C)=C/C=N/C
InChIInChI=1S/C10H15N/c1-4-5-6-7-10(2)8-9-11-3/h4-9H,1-3H3/b5-4?,7-6?,10-8?,11-9+
InChIKeyFIFSRTPBMQVOPG-MMBQPPMBSA-N
MW149.24 g/mol
LogP2.77
Rot. Bonds3

About N,3-dimethylocta-2,4,6-trien-1-imine

N,3-dimethylocta-2,4,6-trien-1-imine (PubChem CID 123796424) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N,3-dimethylocta-2,4,6-trien-1-imine.

Molecular Properties

Compound NameN,3-dimethylocta-2,4,6-trien-1-imine
PubChem CID123796424
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN,3-dimethylocta-2,4,6-trien-1-imine
SMILESCC=CC=CC(C)=C/C=N/C
InChIInChI=1S/C10H15N/c1-4-5-6-7-10(2)8-9-11-3/h4-9H,1-3H3/b5-4?,7-6?,10-8?,11-9+
InChIKeyFIFSRTPBMQVOPG-MMBQPPMBSA-N
XLogP2.77
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 ≤ 52.77
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

Bromozinc(1+) 3-methylpyridin-2-ide
CID 16133065
4-Methyl-2,3-dihydropyridine
CID 53634680
3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
Diethylideneaniline
CID 70417807
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
3,3-Dimethylpyridine
CID 129722078
Lithium 3-methylpyridin-2-ide
CID 16177570
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylocta-2,4,6-trien-1-imine?
The IUPAC name of N,3-dimethylocta-2,4,6-trien-1-imine (CID 123796424) is N,3-dimethylocta-2,4,6-trien-1-imine.
What is the SMILES notation for N,3-dimethylocta-2,4,6-trien-1-imine?
The canonical SMILES for N,3-dimethylocta-2,4,6-trien-1-imine is CC=CC=CC(C)=C/C=N/C.
What is the InChIKey of N,3-dimethylocta-2,4,6-trien-1-imine?
The InChIKey is FIFSRTPBMQVOPG-MMBQPPMBSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-7-10(2)8-9-11-3/h4-9H,1-3H3/b5-4?,7-6?,10-8?,11-9+.
What are the key properties of N,3-dimethylocta-2,4,6-trien-1-imine?
N,3-dimethylocta-2,4,6-trien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylocta-2,4,6-trien-1-imine is sourced from PubChem (CID 123796424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).