1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine

C16H27N3 — CID 134313132

IUPAC1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1=CC=C(/C=C/CN2CCC(N(C)C)C2)N(C)C1
InChIInChI=1S/C16H27N3/c1-14-7-8-15(18(4)12-14)6-5-10-19-11-9-16(13-19)17(2)3/h5-8,16H,9-13H2,1-4H3/b6-5+
InChIKeyJSAQOYXYCMRMCU-AATRIKPKSA-N
MW261.41 g/mol
LogP1.95
Rot. Bonds4

About 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine

1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 134313132) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID134313132
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1=CC=C(/C=C/CN2CCC(N(C)C)C2)N(C)C1
InChIInChI=1S/C16H27N3/c1-14-7-8-15(18(4)12-14)6-5-10-19-11-9-16(13-19)17(2)3/h5-8,16H,9-13H2,1-4H3/b6-5+
InChIKeyJSAQOYXYCMRMCU-AATRIKPKSA-N
XLogP1.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine (CID 134313132) is 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine is CC1=CC=C(/C=C/CN2CCC(N(C)C)C2)N(C)C1.
What is the InChIKey of 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is JSAQOYXYCMRMCU-AATRIKPKSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-7-8-15(18(4)12-14)6-5-10-19-11-9-16(13-19)17(2)3/h5-8,16H,9-13H2,1-4H3/b6-5+.
What are the key properties of 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(1,3-dimethyl-2H-pyridin-6-yl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 134313132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).