(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine

C13H23N — CID 123594930

IUPAC(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine
SMILESCC=C/C=C(CC)\C(=N\C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-9-10-12(8-3)13(14-5)11(4)7-2/h6,9-11H,7-8H2,1-5H3/b9-6?,12-10-,14-13+
InChIKeyLLVCSRIZYDEWLZ-QOZNNAPLSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds5

About (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine

(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine (PubChem CID 123594930) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine
PubChem CID123594930
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine
SMILESCC=C/C=C(CC)\C(=N\C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-9-10-12(8-3)13(14-5)11(4)7-2/h6,9-11H,7-8H2,1-5H3/b9-6?,12-10-,14-13+
InChIKeyLLVCSRIZYDEWLZ-QOZNNAPLSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
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

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
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637
N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
CID 58862023
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
2,5-dimethyl-3-(2-methylpropyl)-3H-azepine
CID 67560504
N,2,3-trimethylcyclohex-3-en-1-imine
CID 68029995
(6Z)-6-[(2,4-dimethylcyclobutyl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 68261447
6-methyl-6,7-dihydro-5H-indole
CID 69703521

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine?
The IUPAC name of (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine (CID 123594930) is (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine?
The canonical SMILES for (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine is CC=C/C=C(CC)\C(=N\C)C(C)CC.
What is the InChIKey of (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine?
The InChIKey is LLVCSRIZYDEWLZ-QOZNNAPLSA-N. The full InChI is InChI=1S/C13H23N/c1-6-9-10-12(8-3)13(14-5)11(4)7-2/h6,9-11H,7-8H2,1-5H3/b9-6?,12-10-,14-13+.
What are the key properties of (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine?
(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine is sourced from PubChem (CID 123594930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).