N-ethenylaniline;methanamine

C9H14N2 — CID 143723226

IUPACN-ethenylaniline;methanamine
SMILESC=CNc1ccccc1.CN
InChIInChI=1S/C8H9N.CH5N/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7,9H,1H2;2H2,1H3
InChIKeyZJGQVLDKKGINSO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.82
Rot. Bonds2

About N-ethenylaniline;methanamine

N-ethenylaniline;methanamine (PubChem CID 143723226) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethenylaniline;methanamine.

Molecular Properties

Compound NameN-ethenylaniline;methanamine
PubChem CID143723226
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethenylaniline;methanamine
SMILESC=CNc1ccccc1.CN
InChIInChI=1S/C8H9N.CH5N/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7,9H,1H2;2H2,1H3
InChIKeyZJGQVLDKKGINSO-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenylaniline;methanamine?
The IUPAC name of N-ethenylaniline;methanamine (CID 143723226) is N-ethenylaniline;methanamine.
What is the SMILES notation for N-ethenylaniline;methanamine?
The canonical SMILES for N-ethenylaniline;methanamine is C=CNc1ccccc1.CN.
What is the InChIKey of N-ethenylaniline;methanamine?
The InChIKey is ZJGQVLDKKGINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.CH5N/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7,9H,1H2;2H2,1H3.
What are the key properties of N-ethenylaniline;methanamine?
N-ethenylaniline;methanamine has a molecular weight of 150.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylaniline;methanamine is sourced from PubChem (CID 143723226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).