3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine

C20H35N3 — CID 102540016

IUPAC3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1N(C(C)C)C(C)C
InChIInChI=1S/C20H35N3/c1-6-7-14-22-15-9-8-12-19(22)18-11-10-13-21-20(18)23(16(2)3)17(4)5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3
InChIKeyTTYYIZBTUGIFGM-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.03
Rot. Bonds7

About 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine

3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine (PubChem CID 102540016) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
PubChem CID102540016
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
SMILESCCCCN1CCCCC1c1cccnc1N(C(C)C)C(C)C
InChIInChI=1S/C20H35N3/c1-6-7-14-22-15-9-8-12-19(22)18-11-10-13-21-20(18)23(16(2)3)17(4)5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3
InChIKeyTTYYIZBTUGIFGM-UHFFFAOYSA-N
XLogP5.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine (CID 102540016) is 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine is CCCCN1CCCCC1c1cccnc1N(C(C)C)C(C)C.
What is the InChIKey of 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine?
The InChIKey is TTYYIZBTUGIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-6-7-14-22-15-9-8-12-19(22)18-11-10-13-21-20(18)23(16(2)3)17(4)5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3.
What are the key properties of 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine?
3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine has a molecular weight of 317.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).