1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine

C18H29N — CID 134580735

IUPAC1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine
SMILESCCCC(CCC)=C(C)/N=C(\C)C1=CCC(C)C=C1
InChIInChI=1S/C18H29N/c1-6-8-17(9-7-2)15(4)19-16(5)18-12-10-14(3)11-13-18/h10,12-14H,6-9,11H2,1-5H3/b19-16+
InChIKeyVCZBMRLXHQMMJI-KNTRCKAVSA-N
MW259.44 g/mol
LogP5.84
Rot. Bonds6

About 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine

1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine (PubChem CID 134580735) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine
PubChem CID134580735
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine
SMILESCCCC(CCC)=C(C)/N=C(\C)C1=CCC(C)C=C1
InChIInChI=1S/C18H29N/c1-6-8-17(9-7-2)15(4)19-16(5)18-12-10-14(3)11-13-18/h10,12-14H,6-9,11H2,1-5H3/b19-16+
InChIKeyVCZBMRLXHQMMJI-KNTRCKAVSA-N
XLogP5.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine?
The IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine (CID 134580735) is 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine.
What is the SMILES notation for 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine?
The canonical SMILES for 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine is CCCC(CCC)=C(C)/N=C(\C)C1=CCC(C)C=C1.
What is the InChIKey of 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine?
The InChIKey is VCZBMRLXHQMMJI-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H29N/c1-6-8-17(9-7-2)15(4)19-16(5)18-12-10-14(3)11-13-18/h10,12-14H,6-9,11H2,1-5H3/b19-16+.
What are the key properties of 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine?
1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine has a molecular weight of 259.44 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,5-dien-1-yl)-N-(3-propylhex-2-en-2-yl)ethanimine is sourced from PubChem (CID 134580735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).