[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine

C18H29N — CID 123155194

IUPAC[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
SMILES[H]/N=C/C1CC=C(CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C18H29N/c1-15(2)6-4-7-16(3)8-5-9-17-10-12-18(14-19)13-11-17/h6,8,10,14,18-19H,4-5,7,9,11-13H2,1-3H3/b16-8?,19-14+
InChIKeyMQRZFQHVPADIKY-OQYBPCDGSA-N
MW259.44 g/mol
LogP5.84
Rot. Bonds7

About [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine

[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine (PubChem CID 123155194) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine.

Molecular Properties

Compound Name[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
PubChem CID123155194
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
SMILES[H]/N=C/C1CC=C(CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C18H29N/c1-15(2)6-4-7-16(3)8-5-9-17-10-12-18(14-19)13-11-17/h6,8,10,14,18-19H,4-5,7,9,11-13H2,1-3H3/b16-8?,19-14+
InChIKeyMQRZFQHVPADIKY-OQYBPCDGSA-N
XLogP5.84
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine with MolForge

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Related Compounds

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine
CID 166764381
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde oxime
CID 3019908
3-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde oxime
CID 3019909
4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime
CID 9553928
3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime
CID 9553929
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 15279800
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 60095916
6-Ethylideneundecan-1-imine
CID 87825837
2-Cyclohex-2-en-1-ylethanimine
CID 89097602

Frequently Asked Questions

What is the IUPAC name of [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine?
The IUPAC name of [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine (CID 123155194) is [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine.
What is the SMILES notation for [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine?
The canonical SMILES for [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine is [H]/N=C/C1CC=C(CCC=C(C)CCC=C(C)C)CC1.
What is the InChIKey of [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine?
The InChIKey is MQRZFQHVPADIKY-OQYBPCDGSA-N. The full InChI is InChI=1S/C18H29N/c1-15(2)6-4-7-16(3)8-5-9-17-10-12-18(14-19)13-11-17/h6,8,10,14,18-19H,4-5,7,9,11-13H2,1-3H3/b16-8?,19-14+.
What are the key properties of [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine?
[4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine has a molecular weight of 259.44 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,8-dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine is sourced from PubChem (CID 123155194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).