(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine

C16H22N2 — CID 142918942

IUPAC(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNC/C=C1\CCCN1
InChIInChI=1S/C16H22N2/c1-14(12-15-6-3-2-4-7-15)13-17-11-9-16-8-5-10-18-16/h2-4,6-7,9,12,17-18H,5,8,10-11,13H2,1H3/b14-12+,16-9+
InChIKeyBGAJABPJJMGELB-JUKXXBMLSA-N
MW242.37 g/mol
LogP2.95
Rot. Bonds5

About (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine

(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine (PubChem CID 142918942) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine
PubChem CID142918942
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNC/C=C1\CCCN1
InChIInChI=1S/C16H22N2/c1-14(12-15-6-3-2-4-7-15)13-17-11-9-16-8-5-10-18-16/h2-4,6-7,9,12,17-18H,5,8,10-11,13H2,1H3/b14-12+,16-9+
InChIKeyBGAJABPJJMGELB-JUKXXBMLSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
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)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine (CID 142918942) is (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine is C/C(=C\c1ccccc1)CNC/C=C1\CCCN1.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine?
The InChIKey is BGAJABPJJMGELB-JUKXXBMLSA-N. The full InChI is InChI=1S/C16H22N2/c1-14(12-15-6-3-2-4-7-15)13-17-11-9-16-8-5-10-18-16/h2-4,6-7,9,12,17-18H,5,8,10-11,13H2,1H3/b14-12+,16-9+.
What are the key properties of (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine?
(E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-[(2E)-2-pyrrolidin-2-ylideneethyl]prop-2-en-1-amine is sourced from PubChem (CID 142918942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).