(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine

C16H24N2 — CID 62339428

IUPAC(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCCN1CCC(CNC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-2-18-12-10-16(14-18)13-17-11-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3/b9-6+
InChIKeyODBFCXYLCKOWNW-RMKNXTFCSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds6

About (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine

(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 62339428) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID62339428
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCCN1CCC(CNC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-2-18-12-10-16(14-18)13-17-11-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3/b9-6+
InChIKeyODBFCXYLCKOWNW-RMKNXTFCSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine (CID 62339428) is (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine is CCN1CCC(CNC/C=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is ODBFCXYLCKOWNW-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-18-12-10-16(14-18)13-17-11-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3/b9-6+.
What are the key properties of (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
(E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 62339428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).