1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine

C11H16N2 — CID 173458068

IUPAC1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine
SMILESC=CC(N)NCCc1ccccc1
InChIInChI=1S/C11H16N2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyHVNCRAHALBPIQA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.29
Rot. Bonds5

About 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine

1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine (PubChem CID 173458068) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine
PubChem CID173458068
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine
SMILESC=CC(N)NCCc1ccccc1
InChIInChI=1S/C11H16N2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyHVNCRAHALBPIQA-UHFFFAOYSA-N
XLogP1.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine?
The IUPAC name of 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine (CID 173458068) is 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine?
The canonical SMILES for 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine is C=CC(N)NCCc1ccccc1.
What is the InChIKey of 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine?
The InChIKey is HVNCRAHALBPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2.
What are the key properties of 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine?
1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine is sourced from PubChem (CID 173458068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).