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

C17H24N2 — CID 62340599

IUPAC(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CNCC1CCN(C2CC2)C1
InChIInChI=1S/C17H24N2/c1-2-5-15(6-3-1)7-4-11-18-13-16-10-12-19(14-16)17-8-9-17/h1-7,16-18H,8-14H2/b7-4+
InChIKeyGQUFSRWGODLPJU-QPJJXVBHSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds6

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

(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 62340599) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID62340599
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CNCC1CCN(C2CC2)C1
InChIInChI=1S/C17H24N2/c1-2-5-15(6-3-1)7-4-11-18-13-16-10-12-19(14-16)17-8-9-17/h1-7,16-18H,8-14H2/b7-4+
InChIKeyGQUFSRWGODLPJU-QPJJXVBHSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.77
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-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine (CID 62340599) is (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine is C(=C/c1ccccc1)\CNCC1CCN(C2CC2)C1.
What is the InChIKey of (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is GQUFSRWGODLPJU-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-5-15(6-3-1)7-4-11-18-13-16-10-12-19(14-16)17-8-9-17/h1-7,16-18H,8-14H2/b7-4+.
What are the key properties of (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine?
(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 256.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 62340599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).