(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine

C12H16N2 — CID 166807260

IUPAC(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine
SMILESC=CN(/C=C(\C)N)c1ccccc1C
InChIInChI=1S/C12H16N2/c1-4-14(9-11(3)13)12-8-6-5-7-10(12)2/h4-9H,1,13H2,2-3H3/b11-9+
InChIKeyBSTCFCNRYPLTES-PKNBQFBNSA-N
MW188.27 g/mol
LogP2.76
Rot. Bonds3

About (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine

(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine (PubChem CID 166807260) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine
PubChem CID166807260
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine
SMILESC=CN(/C=C(\C)N)c1ccccc1C
InChIInChI=1S/C12H16N2/c1-4-14(9-11(3)13)12-8-6-5-7-10(12)2/h4-9H,1,13H2,2-3H3/b11-9+
InChIKeyBSTCFCNRYPLTES-PKNBQFBNSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine (CID 166807260) is (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine is C=CN(/C=C(\C)N)c1ccccc1C.
What is the InChIKey of (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine?
The InChIKey is BSTCFCNRYPLTES-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-14(9-11(3)13)12-8-6-5-7-10(12)2/h4-9H,1,13H2,2-3H3/b11-9+.
What are the key properties of (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine?
(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine has a molecular weight of 188.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 166807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).