5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine

C16H27N3 — CID 102543119

IUPAC5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine
SMILESCCCCN1CCCCC1c1ccc(NC)nc1C
InChIInChI=1S/C16H27N3/c1-4-5-11-19-12-7-6-8-15(19)14-9-10-16(17-3)18-13(14)2/h9-10,15H,4-8,11-12H2,1-3H3,(H,17,18)
InChIKeyYMKFQLWRSKTWRP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine

5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine (PubChem CID 102543119) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine
PubChem CID102543119
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine
SMILESCCCCN1CCCCC1c1ccc(NC)nc1C
InChIInChI=1S/C16H27N3/c1-4-5-11-19-12-7-6-8-15(19)14-9-10-16(17-3)18-13(14)2/h9-10,15H,4-8,11-12H2,1-3H3,(H,17,18)
InChIKeyYMKFQLWRSKTWRP-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine (CID 102543119) is 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine is CCCCN1CCCCC1c1ccc(NC)nc1C.
What is the InChIKey of 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine?
The InChIKey is YMKFQLWRSKTWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-5-11-19-12-7-6-8-15(19)14-9-10-16(17-3)18-13(14)2/h9-10,15H,4-8,11-12H2,1-3H3,(H,17,18).
What are the key properties of 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine?
5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 102543119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).