N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine

C16H18N2 — CID 138435785

IUPACN-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(CCc1ccccc1)c1cccnc1
InChIInChI=1S/C16H18N2/c1-2-12-18(16-9-6-11-17-14-16)13-10-15-7-4-3-5-8-15/h2-9,11,14H,1,10,12-13H2
InChIKeyZUKWVIQSPIFBEU-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds6

About N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine

N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine (PubChem CID 138435785) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
PubChem CID138435785
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(CCc1ccccc1)c1cccnc1
InChIInChI=1S/C16H18N2/c1-2-12-18(16-9-6-11-17-14-16)13-10-15-7-4-3-5-8-15/h2-9,11,14H,1,10,12-13H2
InChIKeyZUKWVIQSPIFBEU-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine?
The IUPAC name of N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine (CID 138435785) is N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine is C=CCN(CCc1ccccc1)c1cccnc1.
What is the InChIKey of N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine?
The InChIKey is ZUKWVIQSPIFBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-12-18(16-9-6-11-17-14-16)13-10-15-7-4-3-5-8-15/h2-9,11,14H,1,10,12-13H2.
What are the key properties of N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine?
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 138435785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).