3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine

C15H25N3 — CID 146342679

IUPAC3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine
SMILESCC/C=C(\CN1CCCC1)NC1=CCC(C)C=N1
InChIInChI=1S/C15H25N3/c1-3-6-14(12-18-9-4-5-10-18)17-15-8-7-13(2)11-16-15/h6,8,11,13,17H,3-5,7,9-10,12H2,1-2H3/b14-6+
InChIKeyISAPJIHDTFYVQW-MKMNVTDBSA-N
MW247.39 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine

3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine (PubChem CID 146342679) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine
PubChem CID146342679
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine
SMILESCC/C=C(\CN1CCCC1)NC1=CCC(C)C=N1
InChIInChI=1S/C15H25N3/c1-3-6-14(12-18-9-4-5-10-18)17-15-8-7-13(2)11-16-15/h6,8,11,13,17H,3-5,7,9-10,12H2,1-2H3/b14-6+
InChIKeyISAPJIHDTFYVQW-MKMNVTDBSA-N
XLogP2.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine?
The IUPAC name of 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine (CID 146342679) is 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine.
What is the SMILES notation for 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine?
The canonical SMILES for 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine is CC/C=C(\CN1CCCC1)NC1=CCC(C)C=N1.
What is the InChIKey of 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine?
The InChIKey is ISAPJIHDTFYVQW-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-6-14(12-18-9-4-5-10-18)17-15-8-7-13(2)11-16-15/h6,8,11,13,17H,3-5,7,9-10,12H2,1-2H3/b14-6+.
What are the key properties of 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine?
3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine has a molecular weight of 247.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-1-pyrrolidin-1-ylpent-2-en-2-yl]-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 146342679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).