N,2,3-trimethylnon-2-en-4-imine

C12H23N — CID 123601158

IUPACN,2,3-trimethylnon-2-en-4-imine
SMILESCCCCC/C(=N\C)C(C)=C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h6-9H2,1-5H3/b13-12+
InChIKeyFURPIKAZFGGEFB-OUKQBFOZSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds5

About N,2,3-trimethylnon-2-en-4-imine

N,2,3-trimethylnon-2-en-4-imine (PubChem CID 123601158) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,2,3-trimethylnon-2-en-4-imine.

Molecular Properties

Compound NameN,2,3-trimethylnon-2-en-4-imine
PubChem CID123601158
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,2,3-trimethylnon-2-en-4-imine
SMILESCCCCC/C(=N\C)C(C)=C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h6-9H2,1-5H3/b13-12+
InChIKeyFURPIKAZFGGEFB-OUKQBFOZSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
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'}

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
CID 18739815
N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
5-Butyl-6-methyl-2,3-dihydropyridine
CID 89109547

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethylnon-2-en-4-imine?
The IUPAC name of N,2,3-trimethylnon-2-en-4-imine (CID 123601158) is N,2,3-trimethylnon-2-en-4-imine.
What is the SMILES notation for N,2,3-trimethylnon-2-en-4-imine?
The canonical SMILES for N,2,3-trimethylnon-2-en-4-imine is CCCCC/C(=N\C)C(C)=C(C)C.
What is the InChIKey of N,2,3-trimethylnon-2-en-4-imine?
The InChIKey is FURPIKAZFGGEFB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h6-9H2,1-5H3/b13-12+.
What are the key properties of N,2,3-trimethylnon-2-en-4-imine?
N,2,3-trimethylnon-2-en-4-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethylnon-2-en-4-imine is sourced from PubChem (CID 123601158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).