5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine

C17H23N3 — CID 102546157

IUPAC5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine
SMILESCCC(N)c1ccc(N(C)Cc2ccccc2)nc1C
InChIInChI=1S/C17H23N3/c1-4-16(18)15-10-11-17(19-13(15)2)20(3)12-14-8-6-5-7-9-14/h5-11,16H,4,12,18H2,1-3H3
InChIKeyJFESVYXULFGGFB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.44
Rot. Bonds5

About 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine

5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine (PubChem CID 102546157) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine
PubChem CID102546157
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine
SMILESCCC(N)c1ccc(N(C)Cc2ccccc2)nc1C
InChIInChI=1S/C17H23N3/c1-4-16(18)15-10-11-17(19-13(15)2)20(3)12-14-8-6-5-7-9-14/h5-11,16H,4,12,18H2,1-3H3
InChIKeyJFESVYXULFGGFB-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine (CID 102546157) is 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine is CCC(N)c1ccc(N(C)Cc2ccccc2)nc1C.
What is the InChIKey of 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine?
The InChIKey is JFESVYXULFGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-16(18)15-10-11-17(19-13(15)2)20(3)12-14-8-6-5-7-9-14/h5-11,16H,4,12,18H2,1-3H3.
What are the key properties of 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine?
5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropyl)-N-benzyl-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 102546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).