3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine

C22H27N3 — CID 67636513

IUPAC3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
SMILESCc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1
InChIInChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3
InChIKeyGBWMRKVYWBAZTC-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.93
Rot. Bonds6

About 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine

3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine (PubChem CID 67636513) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
PubChem CID67636513
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
SMILESCc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1
InChIInChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3
InChIKeyGBWMRKVYWBAZTC-UHFFFAOYSA-N
XLogP3.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The IUPAC name of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine (CID 67636513) is 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine.
What is the SMILES notation for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The canonical SMILES for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine is Cc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1.
What is the InChIKey of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The InChIKey is GBWMRKVYWBAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3.
What are the key properties of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine has a molecular weight of 333.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine is sourced from PubChem (CID 67636513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).