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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Related Compounds

N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
CID 89070251
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
N-[(4E)-2-methylhexa-2,4-dien-3-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89441658
4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
CID 90688123
3-ethyl-11-methyl-2-[(1Z)-3-methylpenta-1,3-dienyl]-4,5,6,7,8,10,11,12-octahydro-1-benzazecine
CID 90738048
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
CID 90959943
(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
CID 91090148
N-(5-ethyl-5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)heptan-2-imine
CID 91372726
(12E)-10-methyl-3,8,9,9a,10,11-hexahydrobenzo[b][1]benzazocine
CID 123154368
N-[(3E,5Z)-4,5-dimethylnona-3,5,8-trien-3-yl]-4-methylhexan-2-imine
CID 123167041

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).