N,3,5-trimethylnona-5,8-dien-4-imine

C12H21N — CID 123444373

IUPACN,3,5-trimethylnona-5,8-dien-4-imine
SMILESC=CCC=C(C)/C(=N/C)C(C)CC
InChIInChI=1S/C12H21N/c1-6-8-9-11(4)12(13-5)10(3)7-2/h6,9-10H,1,7-8H2,2-5H3/b11-9?,13-12+
InChIKeyCITDCJSLZAQTBH-IAMQCISTSA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds5

About N,3,5-trimethylnona-5,8-dien-4-imine

N,3,5-trimethylnona-5,8-dien-4-imine (PubChem CID 123444373) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,3,5-trimethylnona-5,8-dien-4-imine.

Molecular Properties

Compound NameN,3,5-trimethylnona-5,8-dien-4-imine
PubChem CID123444373
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,3,5-trimethylnona-5,8-dien-4-imine
SMILESC=CCC=C(C)/C(=N/C)C(C)CC
InChIInChI=1S/C12H21N/c1-6-8-9-11(4)12(13-5)10(3)7-2/h6,9-10H,1,7-8H2,2-5H3/b11-9?,13-12+
InChIKeyCITDCJSLZAQTBH-IAMQCISTSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
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

6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
CID 166470434
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
CID 23252301
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylnona-5,8-dien-4-imine?
The IUPAC name of N,3,5-trimethylnona-5,8-dien-4-imine (CID 123444373) is N,3,5-trimethylnona-5,8-dien-4-imine.
What is the SMILES notation for N,3,5-trimethylnona-5,8-dien-4-imine?
The canonical SMILES for N,3,5-trimethylnona-5,8-dien-4-imine is C=CCC=C(C)/C(=N/C)C(C)CC.
What is the InChIKey of N,3,5-trimethylnona-5,8-dien-4-imine?
The InChIKey is CITDCJSLZAQTBH-IAMQCISTSA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-9-11(4)12(13-5)10(3)7-2/h6,9-10H,1,7-8H2,2-5H3/b11-9?,13-12+.
What are the key properties of N,3,5-trimethylnona-5,8-dien-4-imine?
N,3,5-trimethylnona-5,8-dien-4-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylnona-5,8-dien-4-imine is sourced from PubChem (CID 123444373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).