N-cyclohexylhepta-1,2-dien-1-imine

C13H21N — CID 140968843

IUPACN-cyclohexylhepta-1,2-dien-1-imine
SMILESCCCCC=C=C=NC1CCCCC1
InChIInChI=1S/C13H21N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h5,13H,2-4,6-8,10-11H2,1H3
InChIKeyHUFQZJSCZKDVJN-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.89
Rot. Bonds4

About N-cyclohexylhepta-1,2-dien-1-imine

N-cyclohexylhepta-1,2-dien-1-imine (PubChem CID 140968843) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-cyclohexylhepta-1,2-dien-1-imine.

Molecular Properties

Compound NameN-cyclohexylhepta-1,2-dien-1-imine
PubChem CID140968843
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-cyclohexylhepta-1,2-dien-1-imine
SMILESCCCCC=C=C=NC1CCCCC1
InChIInChI=1S/C13H21N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h5,13H,2-4,6-8,10-11H2,1H3
InChIKeyHUFQZJSCZKDVJN-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.89
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'}

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Related Compounds

N-cyclohexyl-2-methylbut-1-en-1-imine
CID 12951386
N-cyclohexylbut-3-en-2-imine
CID 12524824
N-hexylbut-1-en-1-imine
CID 88133285
N-cyclotridecylpent-1-en-1-imine
CID 123463527
N-cyclohexylpent-1-en-3-imine
CID 123703101
N-cyclohexylbut-1-en-1-imine
CID 139667678
N-pentyloct-1-en-1-imine
CID 163733808
2-Butyl-1-azacycloundeca-10,11-diene
CID 164159256
N-[(2R)-octan-2-yl]hexa-1,2-dien-1-imine
CID 173958065

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylhepta-1,2-dien-1-imine?
The IUPAC name of N-cyclohexylhepta-1,2-dien-1-imine (CID 140968843) is N-cyclohexylhepta-1,2-dien-1-imine.
What is the SMILES notation for N-cyclohexylhepta-1,2-dien-1-imine?
The canonical SMILES for N-cyclohexylhepta-1,2-dien-1-imine is CCCCC=C=C=NC1CCCCC1.
What is the InChIKey of N-cyclohexylhepta-1,2-dien-1-imine?
The InChIKey is HUFQZJSCZKDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h5,13H,2-4,6-8,10-11H2,1H3.
What are the key properties of N-cyclohexylhepta-1,2-dien-1-imine?
N-cyclohexylhepta-1,2-dien-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylhepta-1,2-dien-1-imine is sourced from PubChem (CID 140968843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).