(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine

C15H25N — CID 123447656

IUPAC(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine
SMILES[H]/N=C(C)/C=C\C(C)=C(\C=C/CC)C(C)CC
InChIInChI=1S/C15H25N/c1-6-8-9-15(12(3)7-2)13(4)10-11-14(5)16/h8-12,16H,6-7H2,1-5H3/b9-8-,11-10-,15-13-,16-14+
InChIKeyMYEHQMUUAGADPE-HOKIRQNWSA-N
MW219.37 g/mol
LogP4.91
Rot. Bonds6

About (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine

(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine (PubChem CID 123447656) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine
PubChem CID123447656
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine
SMILES[H]/N=C(C)/C=C\C(C)=C(\C=C/CC)C(C)CC
InChIInChI=1S/C15H25N/c1-6-8-9-15(12(3)7-2)13(4)10-11-14(5)16/h8-12,16H,6-7H2,1-5H3/b9-8-,11-10-,15-13-,16-14+
InChIKeyMYEHQMUUAGADPE-HOKIRQNWSA-N
XLogP4.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.91
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'}

Analyze (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine with MolForge

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine
CID 145383058
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
4-Propan-2-ylcyclohexa-3,5-diene-1,2-diimine
CID 68028429
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine?
The IUPAC name of (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine (CID 123447656) is (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine.
What is the SMILES notation for (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine?
The canonical SMILES for (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine is [H]/N=C(C)/C=C\C(C)=C(\C=C/CC)C(C)CC.
What is the InChIKey of (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine?
The InChIKey is MYEHQMUUAGADPE-HOKIRQNWSA-N. The full InChI is InChI=1S/C15H25N/c1-6-8-9-15(12(3)7-2)13(4)10-11-14(5)16/h8-12,16H,6-7H2,1-5H3/b9-8-,11-10-,15-13-,16-14+.
What are the key properties of (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine?
(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine has a molecular weight of 219.37 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine is sourced from PubChem (CID 123447656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).