N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine

C20H25N3O — CID 171139925

IUPACN-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCc1cnc(CN(CC=Cc2ccccc2)CC2CCCO2)cn1
InChIInChI=1S/C20H25N3O/c1-17-13-22-19(14-21-17)15-23(16-20-10-6-12-24-20)11-5-9-18-7-3-2-4-8-18/h2-5,7-9,13-14,20H,6,10-12,15-16H2,1H3
InChIKeyGLEBAIWSOWVTFE-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.48
Rot. Bonds7

About N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 171139925) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID171139925
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCc1cnc(CN(CC=Cc2ccccc2)CC2CCCO2)cn1
InChIInChI=1S/C20H25N3O/c1-17-13-22-19(14-21-17)15-23(16-20-10-6-12-24-20)11-5-9-18-7-3-2-4-8-18/h2-5,7-9,13-14,20H,6,10-12,15-16H2,1H3
InChIKeyGLEBAIWSOWVTFE-UHFFFAOYSA-N
XLogP3.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine
CID 124749683
N-[(3-iodophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 23995556
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482
2-cyclopropyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 97143830
2-cyclopropyl-6-oxo-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 70708734
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
CID 74230801

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine (CID 171139925) is N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine is Cc1cnc(CN(CC=Cc2ccccc2)CC2CCCO2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is GLEBAIWSOWVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17-13-22-19(14-21-17)15-23(16-20-10-6-12-24-20)11-5-9-18-7-3-2-4-8-18/h2-5,7-9,13-14,20H,6,10-12,15-16H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 323.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 171139925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).