ethane;N-(2-prop-1-en-2-ylphenyl)methanimine

C16H29N — CID 145330488

IUPACethane;N-(2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccccc1C(=C)C.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;3*1-2/h4-7H,1,3H2,2H3;3*1-2H3
InChIKeyPHXVGUSCIUHAKB-UHFFFAOYSA-N
MW235.41 g/mol
LogP6.13
Rot. Bonds2

About ethane;N-(2-prop-1-en-2-ylphenyl)methanimine

ethane;N-(2-prop-1-en-2-ylphenyl)methanimine (PubChem CID 145330488) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;N-(2-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-prop-1-en-2-ylphenyl)methanimine
PubChem CID145330488
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;N-(2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccccc1C(=C)C.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;3*1-2/h4-7H,1,3H2,2H3;3*1-2H3
InChIKeyPHXVGUSCIUHAKB-UHFFFAOYSA-N
XLogP6.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 56.13
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 ethane;N-(2-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of ethane;N-(2-prop-1-en-2-ylphenyl)methanimine (CID 145330488) is ethane;N-(2-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for ethane;N-(2-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for ethane;N-(2-prop-1-en-2-ylphenyl)methanimine is C=Nc1ccccc1C(=C)C.CC.CC.CC.
What is the InChIKey of ethane;N-(2-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is PHXVGUSCIUHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.3C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;3*1-2/h4-7H,1,3H2,2H3;3*1-2H3.
What are the key properties of ethane;N-(2-prop-1-en-2-ylphenyl)methanimine?
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 235.41 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 145330488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).