N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine

C14H20N2 — CID 100979849

IUPACN-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccccn1)C1CCCCC1
InChIInChI=1S/C14H20N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h5-6,9-13H,2-4,7-8H2,1H3/b16-11+/t12-/m1/s1
InChIKeySIMSLYWQOWMGKL-PILJQMSFSA-N
MW216.33 g/mol
LogP3.47
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine

N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine (PubChem CID 100979849) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
PubChem CID100979849
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccccn1)C1CCCCC1
InChIInChI=1S/C14H20N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h5-6,9-13H,2-4,7-8H2,1H3/b16-11+/t12-/m1/s1
InChIKeySIMSLYWQOWMGKL-PILJQMSFSA-N
XLogP3.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine (CID 100979849) is N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine is C[C@@H](/N=C/c1ccccn1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is SIMSLYWQOWMGKL-PILJQMSFSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h5-6,9-13H,2-4,7-8H2,1H3/b16-11+/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine?
N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 216.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 100979849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).