N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine

C14H23N — CID 168961681

IUPACN-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine
SMILESC=CCC/C=C/CN=C1CCC(C)CC1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-12-15-14-10-8-13(2)9-11-14/h3,6-7,13H,1,4-5,8-12H2,2H3/b7-6+,15-14-
InChIKeyZJUXCKMPVGDOKX-GSFPHAMYSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds5

About N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine

N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine (PubChem CID 168961681) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine.

Molecular Properties

Compound NameN-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine
PubChem CID168961681
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine
SMILESC=CCC/C=C/CN=C1CCC(C)CC1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-12-15-14-10-8-13(2)9-11-14/h3,6-7,13H,1,4-5,8-12H2,2H3/b7-6+,15-14-
InChIKeyZJUXCKMPVGDOKX-GSFPHAMYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
6-Cyclopentyl-2,3-dihydropyridine
CID 54515633
5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
4a,5,6,7-tetrahydro-2H-quinolin-8-imine
CID 57154891
5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
N,2,3-trimethylcyclohex-3-en-1-imine
CID 68029995
7-cyclohexyl-2H-azepine
CID 69835043
2,4a,5,6-Tetrahydroquinoline
CID 70148575
Cyclohexyl-methylidene-allylamine
CID 70547811

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine?
The IUPAC name of N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine (CID 168961681) is N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine.
What is the SMILES notation for N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine?
The canonical SMILES for N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine is C=CCC/C=C/CN=C1CCC(C)CC1.
What is the InChIKey of N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine?
The InChIKey is ZJUXCKMPVGDOKX-GSFPHAMYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-5-6-7-12-15-14-10-8-13(2)9-11-14/h3,6-7,13H,1,4-5,8-12H2,2H3/b7-6+,15-14-.
What are the key properties of N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine?
N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine is sourced from PubChem (CID 168961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).