(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine

C15H21N — CID 123327586

IUPAC(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C)=C(C)C
InChIInChI=1S/C15H21N/c1-10(2)8-9-12(5)13(6)15(11(3)4)14(7)16/h8-9,16H,1,5-6H2,2-4,7H3/b9-8-,16-14+
InChIKeyAWQJBIKOAFTERR-ZMPHJAQOSA-N
MW215.34 g/mol
LogP4.61
Rot. Bonds5

About (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine

(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine (PubChem CID 123327586) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine.

Molecular Properties

Compound Name(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine
PubChem CID123327586
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C)=C(C)C
InChIInChI=1S/C15H21N/c1-10(2)8-9-12(5)13(6)15(11(3)4)14(7)16/h8-9,16H,1,5-6H2,2-4,7H3/b9-8-,16-14+
InChIKeyAWQJBIKOAFTERR-ZMPHJAQOSA-N
XLogP4.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
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

Toluquinone diimine
CID 57641797
3-Methyl-2-cyclopentenimine
CID 91232431
Dibenzocycloheptenimin
CID 129628903
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810

Frequently Asked Questions

What is the IUPAC name of (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine?
The IUPAC name of (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine (CID 123327586) is (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine.
What is the SMILES notation for (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine?
The canonical SMILES for (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine is [H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C)=C(C)C.
What is the InChIKey of (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine?
The InChIKey is AWQJBIKOAFTERR-ZMPHJAQOSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)8-9-12(5)13(6)15(11(3)4)14(7)16/h8-9,16H,1,5-6H2,2-4,7H3/b9-8-,16-14+.
What are the key properties of (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine?
(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine has a molecular weight of 215.34 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine is sourced from PubChem (CID 123327586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).