N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine

C19H25N3 — CID 71908815

IUPACN-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine
SMILESC=CCN(CCc1ccccc1)Cc1cc(NCC)ccn1
InChIInChI=1S/C19H25N3/c1-3-13-22(14-11-17-8-6-5-7-9-17)16-19-15-18(20-4-2)10-12-21-19/h3,5-10,12,15H,1,4,11,13-14,16H2,2H3,(H,20,21)
InChIKeySEOSCQYAGLSKLA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.74
Rot. Bonds9

About N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine

N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine (PubChem CID 71908815) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine
PubChem CID71908815
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine
SMILESC=CCN(CCc1ccccc1)Cc1cc(NCC)ccn1
InChIInChI=1S/C19H25N3/c1-3-13-22(14-11-17-8-6-5-7-9-17)16-19-15-18(20-4-2)10-12-21-19/h3,5-10,12,15H,1,4,11,13-14,16H2,2H3,(H,20,21)
InChIKeySEOSCQYAGLSKLA-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine (CID 71908815) is N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine is C=CCN(CCc1ccccc1)Cc1cc(NCC)ccn1.
What is the InChIKey of N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine?
The InChIKey is SEOSCQYAGLSKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-13-22(14-11-17-8-6-5-7-9-17)16-19-15-18(20-4-2)10-12-21-19/h3,5-10,12,15H,1,4,11,13-14,16H2,2H3,(H,20,21).
What are the key properties of N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine?
N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 71908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).