N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine

C16H27N3 — CID 102540203

IUPACN-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine
SMILESCCC(C)Nc1ncccc1C1CCCCN1CC
InChIInChI=1S/C16H27N3/c1-4-13(3)18-16-14(9-8-11-17-16)15-10-6-7-12-19(15)5-2/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,17,18)
InChIKeyXBZOOGRKJNEXNL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds5

About N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine

N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine (PubChem CID 102540203) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine
PubChem CID102540203
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine
SMILESCCC(C)Nc1ncccc1C1CCCCN1CC
InChIInChI=1S/C16H27N3/c1-4-13(3)18-16-14(9-8-11-17-16)15-10-6-7-12-19(15)5-2/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,17,18)
InChIKeyXBZOOGRKJNEXNL-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine (CID 102540203) is N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine is CCC(C)Nc1ncccc1C1CCCCN1CC.
What is the InChIKey of N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine?
The InChIKey is XBZOOGRKJNEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13(3)18-16-14(9-8-11-17-16)15-10-6-7-12-19(15)5-2/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine?
N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(1-ethylpiperidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).