(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine

C11H15N — CID 102196046

IUPAC(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
SMILESC=C/C=C/C=C/C(C)=C/C=N/C
InChIInChI=1S/C11H15N/c1-4-5-6-7-8-11(2)9-10-12-3/h4-10H,1H2,2-3H3/b6-5+,8-7+,11-9+,12-10+
InChIKeyUFYPUCPEGINRAM-CQAITILHSA-N
MW161.25 g/mol
LogP2.93
Rot. Bonds4

About (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine

(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine (PubChem CID 102196046) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
PubChem CID102196046
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
SMILESC=C/C=C/C=C/C(C)=C/C=N/C
InChIInChI=1S/C11H15N/c1-4-5-6-7-8-11(2)9-10-12-3/h4-10H,1H2,2-3H3/b6-5+,8-7+,11-9+,12-10+
InChIKeyUFYPUCPEGINRAM-CQAITILHSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.93
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

N-methylhepta-2,4,6-trien-1-imine
CID 54148857
hydron;(2E,4E,6E)-3-methylnona-2,4,6,8-tetraen-1-imine
CID 102008019
(2E,3Z)-2-(2-methyliminoethylidene)hexa-3,5-dienoic acid
CID 146912098
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(Z)-N',2-dimethylbut-2-ene-1,4-diimine
CID 167038959
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2Z,4E,6Z,8Z)-3,4-dimethylundeca-2,4,6,8,10-pentaen-2-amine
CID 167289416
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine (CID 102196046) is (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine is C=C/C=C/C=C/C(C)=C/C=N/C.
What is the InChIKey of (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine?
The InChIKey is UFYPUCPEGINRAM-CQAITILHSA-N. The full InChI is InChI=1S/C11H15N/c1-4-5-6-7-8-11(2)9-10-12-3/h4-10H,1H2,2-3H3/b6-5+,8-7+,11-9+,12-10+.
What are the key properties of (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine?
(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine has a molecular weight of 161.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 102196046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).