N-(3,8-dimethylnon-7-enyl)methanimine

C12H23N — CID 123415175

IUPACN-(3,8-dimethylnon-7-enyl)methanimine
SMILESC=NCCC(C)CCCC=C(C)C
InChIInChI=1S/C12H23N/c1-11(2)7-5-6-8-12(3)9-10-13-4/h7,12H,4-6,8-10H2,1-3H3
InChIKeyWFNAFIZRMVDMEU-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds7

About N-(3,8-dimethylnon-7-enyl)methanimine

N-(3,8-dimethylnon-7-enyl)methanimine (PubChem CID 123415175) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(3,8-dimethylnon-7-enyl)methanimine.

Molecular Properties

Compound NameN-(3,8-dimethylnon-7-enyl)methanimine
PubChem CID123415175
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(3,8-dimethylnon-7-enyl)methanimine
SMILESC=NCCC(C)CCCC=C(C)C
InChIInChI=1S/C12H23N/c1-11(2)7-5-6-8-12(3)9-10-13-4/h7,12H,4-6,8-10H2,1-3H3
InChIKeyWFNAFIZRMVDMEU-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine
CID 134379330
N-[(1Z,6Z)-7-fluoro-2,3,6-trimethylundeca-1,6,10-trienyl]methanimine
CID 146577720
N-[(E)-5-(2-fluoroethyl)oct-6-en-2-yl]methanimine
CID 156038947
4-(Isocyanatomethyl)-1-methylcyclohexene
CID 89996581
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 91201172
N-(4,6-dimethyldec-3-en-5-yl)methanimine
CID 91311305
8-Isothiocyanato-2,6-dimethyloct-2-ene
CID 119088423
N-(2-butan-2-ylhex-5-enyl)methanimine
CID 123155097
N-ethyl-1-(5-propylcyclopenten-1-yl)methanimine
CID 123364635

Frequently Asked Questions

What is the IUPAC name of N-(3,8-dimethylnon-7-enyl)methanimine?
The IUPAC name of N-(3,8-dimethylnon-7-enyl)methanimine (CID 123415175) is N-(3,8-dimethylnon-7-enyl)methanimine.
What is the SMILES notation for N-(3,8-dimethylnon-7-enyl)methanimine?
The canonical SMILES for N-(3,8-dimethylnon-7-enyl)methanimine is C=NCCC(C)CCCC=C(C)C.
What is the InChIKey of N-(3,8-dimethylnon-7-enyl)methanimine?
The InChIKey is WFNAFIZRMVDMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)7-5-6-8-12(3)9-10-13-4/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of N-(3,8-dimethylnon-7-enyl)methanimine?
N-(3,8-dimethylnon-7-enyl)methanimine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,8-dimethylnon-7-enyl)methanimine is sourced from PubChem (CID 123415175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).