1-(cyclohexen-1-yl)-N-cyclohexylmethanimine

C13H21N — CID 14472916

IUPAC1-(cyclohexen-1-yl)-N-cyclohexylmethanimine
SMILESC1=C(/C=N/C2CCCCC2)CCCC1
InChIInChI=1S/C13H21N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h7,11,13H,1-6,8-10H2/b14-11+
InChIKeyDIBSWMFIWOSUQE-SDNWHVSQSA-N
MW191.32 g/mol
LogP3.89
Rot. Bonds2

About 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine

1-(cyclohexen-1-yl)-N-cyclohexylmethanimine (PubChem CID 14472916) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-cyclohexylmethanimine
PubChem CID14472916
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(cyclohexen-1-yl)-N-cyclohexylmethanimine
SMILESC1=C(/C=N/C2CCCCC2)CCCC1
InChIInChI=1S/C13H21N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h7,11,13H,1-6,8-10H2/b14-11+
InChIKeyDIBSWMFIWOSUQE-SDNWHVSQSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine (CID 14472916) is 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine is C1=C(/C=N/C2CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine?
The InChIKey is DIBSWMFIWOSUQE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H21N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h7,11,13H,1-6,8-10H2/b14-11+.
What are the key properties of 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine?
1-(cyclohexen-1-yl)-N-cyclohexylmethanimine has a molecular weight of 191.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-cyclohexylmethanimine is sourced from PubChem (CID 14472916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).