(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine

C21H26N2O — CID 124749683

IUPAC(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCc1cnccc1CN(C/C=C/c1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C21H26N2O/c1-18-15-22-12-11-20(18)16-23(17-21-10-6-14-24-21)13-5-9-19-7-3-2-4-8-19/h2-5,7-9,11-12,15,21H,6,10,13-14,16-17H2,1H3/b9-5+/t21-/m0/s1
InChIKeyBCUDEFRCHRMFKG-OWLMGLOSSA-N
MW322.45 g/mol
LogP4.08
Rot. Bonds7

About (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine

(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 124749683) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID124749683
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCc1cnccc1CN(C/C=C/c1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C21H26N2O/c1-18-15-22-12-11-20(18)16-23(17-21-10-6-14-24-21)13-5-9-19-7-3-2-4-8-19/h2-5,7-9,11-12,15,21H,6,10,13-14,16-17H2,1H3/b9-5+/t21-/m0/s1
InChIKeyBCUDEFRCHRMFKG-OWLMGLOSSA-N
XLogP4.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine with MolForge

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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
N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 171139925
N-[(3-iodophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 23995556
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'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
CID 74230801
N-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46953983
N-benzyl-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497024

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine (CID 124749683) is (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine is Cc1cnccc1CN(C/C=C/c1ccccc1)C[C@@H]1CCCO1.
What is the InChIKey of (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is BCUDEFRCHRMFKG-OWLMGLOSSA-N. The full InChI is InChI=1S/C21H26N2O/c1-18-15-22-12-11-20(18)16-23(17-21-10-6-14-24-21)13-5-9-19-7-3-2-4-8-19/h2-5,7-9,11-12,15,21H,6,10,13-14,16-17H2,1H3/b9-5+/t21-/m0/s1.
What are the key properties of (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine?
(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 322.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 124749683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).