2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine

C15H23N — CID 123822987

IUPAC2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine
SMILESC=C(C)C=C(C)/C(=N/C(C)=C(C)C)C(=C)C
InChIInChI=1S/C15H23N/c1-10(2)9-13(7)15(12(5)6)16-14(8)11(3)4/h9H,1,5H2,2-4,6-8H3/b13-9?,16-15+
InChIKeyZOFINBICSMOXJL-JTMJPLIHSA-N
MW217.36 g/mol
LogP4.84
Rot. Bonds4

About 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine

2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine (PubChem CID 123822987) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine
PubChem CID123822987
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine
SMILESC=C(C)C=C(C)/C(=N/C(C)=C(C)C)C(=C)C
InChIInChI=1S/C15H23N/c1-10(2)9-13(7)15(12(5)6)16-14(8)11(3)4/h9H,1,5H2,2-4,6-8H3/b13-9?,16-15+
InChIKeyZOFINBICSMOXJL-JTMJPLIHSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.84
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

(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride
CID 137384126
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
CID 168972356
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040437
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
2,4,6-Trimethylcyclopenta[b]pyrrole
CID 17855906
2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole
CID 59879718
3,5,6-trimethyl-2H-pyridin-2-ide;tungsten
CID 59883575

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine?
The IUPAC name of 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine (CID 123822987) is 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine?
The canonical SMILES for 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine is C=C(C)C=C(C)/C(=N/C(C)=C(C)C)C(=C)C.
What is the InChIKey of 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine?
The InChIKey is ZOFINBICSMOXJL-JTMJPLIHSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)9-13(7)15(12(5)6)16-14(8)11(3)4/h9H,1,5H2,2-4,6-8H3/b13-9?,16-15+.
What are the key properties of 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine?
2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine has a molecular weight of 217.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine is sourced from PubChem (CID 123822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).