1-(2-ethenylphenyl)prop-2-ene-1,1-diamine

C11H14N2 — CID 150070800

IUPAC1-(2-ethenylphenyl)prop-2-ene-1,1-diamine
SMILESC=Cc1ccccc1C(N)(N)C=C
InChIInChI=1S/C11H14N2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H,1-2,12-13H2
InChIKeyDPFUBCAETQIWBB-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine

1-(2-ethenylphenyl)prop-2-ene-1,1-diamine (PubChem CID 150070800) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-(2-ethenylphenyl)prop-2-ene-1,1-diamine
PubChem CID150070800
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(2-ethenylphenyl)prop-2-ene-1,1-diamine
SMILESC=Cc1ccccc1C(N)(N)C=C
InChIInChI=1S/C11H14N2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H,1-2,12-13H2
InChIKeyDPFUBCAETQIWBB-UHFFFAOYSA-N
XLogP1.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine?
The IUPAC name of 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine (CID 150070800) is 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine.
What is the SMILES notation for 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine?
The canonical SMILES for 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine is C=Cc1ccccc1C(N)(N)C=C.
What is the InChIKey of 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine?
The InChIKey is DPFUBCAETQIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H,1-2,12-13H2.
What are the key properties of 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine?
1-(2-ethenylphenyl)prop-2-ene-1,1-diamine has a molecular weight of 174.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)prop-2-ene-1,1-diamine is sourced from PubChem (CID 150070800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).