ethane;N-methyl-1-phenylmethanimine

C14H27N — CID 90887000

IUPACethane;N-methyl-1-phenylmethanimine
SMILESC/N=C/c1ccccc1.CC.CC.CC
InChIInChI=1S/C8H9N.3C2H6/c1-9-7-8-5-3-2-4-6-8;3*1-2/h2-7H,1H3;3*1-2H3/b9-7+;;;
InChIKeyLFKPVURRDZSUAP-UVUKSMQLSA-N
MW209.38 g/mol
LogP4.81
Rot. Bonds1

About ethane;N-methyl-1-phenylmethanimine

ethane;N-methyl-1-phenylmethanimine (PubChem CID 90887000) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;N-methyl-1-phenylmethanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-phenylmethanimine
PubChem CID90887000
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;N-methyl-1-phenylmethanimine
SMILESC/N=C/c1ccccc1.CC.CC.CC
InChIInChI=1S/C8H9N.3C2H6/c1-9-7-8-5-3-2-4-6-8;3*1-2/h2-7H,1H3;3*1-2H3/b9-7+;;;
InChIKeyLFKPVURRDZSUAP-UVUKSMQLSA-N
XLogP4.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
methylhydrazine;N-methyl-1-phenylmethanimine;toluene
CID 142289825
N-oxido-1-phenylmethanimine
CID 3712496
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
CID 142544034
N,1-diphenylmethanimine
CID 10858
copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
1-(benzylideneamino)ethanol
CID 66697160
methyl (NE,1Z)-N-benzylidenemethanehydrazonate
CID 143179521
ethane;thiobenzaldehyde
CID 91451523

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-phenylmethanimine?
The IUPAC name of ethane;N-methyl-1-phenylmethanimine (CID 90887000) is ethane;N-methyl-1-phenylmethanimine.
What is the SMILES notation for ethane;N-methyl-1-phenylmethanimine?
The canonical SMILES for ethane;N-methyl-1-phenylmethanimine is C/N=C/c1ccccc1.CC.CC.CC.
What is the InChIKey of ethane;N-methyl-1-phenylmethanimine?
The InChIKey is LFKPVURRDZSUAP-UVUKSMQLSA-N. The full InChI is InChI=1S/C8H9N.3C2H6/c1-9-7-8-5-3-2-4-6-8;3*1-2/h2-7H,1H3;3*1-2H3/b9-7+;;;.
What are the key properties of ethane;N-methyl-1-phenylmethanimine?
ethane;N-methyl-1-phenylmethanimine has a molecular weight of 209.38 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-phenylmethanimine is sourced from PubChem (CID 90887000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).