N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine

C14H23N — CID 129048749

IUPACN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C(=C/C(=C)C)C(C)C)C(C)C
InChIInChI=1S/C14H23N/c1-8-13(11(4)5)15-14(12(6)7)9-10(2)3/h8-9,11-12H,1-2H2,3-7H3/b14-9-,15-13+
InChIKeyIFPTWJXUKVBRAJ-JHLCPEHRSA-N
MW205.34 g/mol
LogP4.39
Rot. Bonds5

About N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine

N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine (PubChem CID 129048749) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine
PubChem CID129048749
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C(=C/C(=C)C)C(C)C)C(C)C
InChIInChI=1S/C14H23N/c1-8-13(11(4)5)15-14(12(6)7)9-10(2)3/h8-9,11-12H,1-2H2,3-7H3/b14-9-,15-13+
InChIKeyIFPTWJXUKVBRAJ-JHLCPEHRSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.39
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

(3E,5E)-6-fluoro-N-[(E)-pent-2-en-4-yn-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
CID 129210535
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
CID 174292959
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
1-(3-fluoro-5-methylcyclohepta-1,3,6-trien-1-yl)-N-[(Z)-4-methylidenehex-2-en-3-yl]ethanimine
CID 143722000
(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine
CID 156880573
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040437

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine?
The IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine (CID 129048749) is N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine?
The canonical SMILES for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine is C=C/C(=N\C(=C/C(=C)C)C(C)C)C(C)C.
What is the InChIKey of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine?
The InChIKey is IFPTWJXUKVBRAJ-JHLCPEHRSA-N. The full InChI is InChI=1S/C14H23N/c1-8-13(11(4)5)15-14(12(6)7)9-10(2)3/h8-9,11-12H,1-2H2,3-7H3/b14-9-,15-13+.
What are the key properties of N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine?
N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine has a molecular weight of 205.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-4-methylpent-1-en-3-imine is sourced from PubChem (CID 129048749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).