N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine

C16H23N3 — CID 15746279

IUPACN-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(N2CCCC2)c(NC2=NCCCC2)c1
InChIInChI=1S/C16H23N3/c1-13-7-8-15(19-10-4-5-11-19)14(12-13)18-16-6-2-3-9-17-16/h7-8,12H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyYNUWVCBAWIDKGI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds2

About N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 15746279) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID15746279
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(N2CCCC2)c(NC2=NCCCC2)c1
InChIInChI=1S/C16H23N3/c1-13-7-8-15(19-10-4-5-11-19)14(12-13)18-16-6-2-3-9-17-16/h7-8,12H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyYNUWVCBAWIDKGI-UHFFFAOYSA-N
XLogP3.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 15746279) is N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is Cc1ccc(N2CCCC2)c(NC2=NCCCC2)c1.
What is the InChIKey of N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is YNUWVCBAWIDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-7-8-15(19-10-4-5-11-19)14(12-13)18-16-6-2-3-9-17-16/h7-8,12H,2-6,9-11H2,1H3,(H,17,18).
What are the key properties of N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 15746279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).