N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine

C19H31N3 — CID 102540493

IUPACN-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
SMILESCC(C)N1CCCCC1c1cccnc1NC1CCCCC1
InChIInChI=1S/C19H31N3/c1-15(2)22-14-7-6-12-18(22)17-11-8-13-20-19(17)21-16-9-4-3-5-10-16/h8,11,13,15-16,18H,3-7,9-10,12,14H2,1-2H3,(H,20,21)
InChIKeyZFSGQXISUNWJMY-UHFFFAOYSA-N
MW301.48 g/mol
LogP4.76
Rot. Bonds4

About N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine

N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine (PubChem CID 102540493) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
PubChem CID102540493
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC NameN-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine
SMILESCC(C)N1CCCCC1c1cccnc1NC1CCCCC1
InChIInChI=1S/C19H31N3/c1-15(2)22-14-7-6-12-18(22)17-11-8-13-20-19(17)21-16-9-4-3-5-10-16/h8,11,13,15-16,18H,3-7,9-10,12,14H2,1-2H3,(H,20,21)
InChIKeyZFSGQXISUNWJMY-UHFFFAOYSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine (CID 102540493) is N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine is CC(C)N1CCCCC1c1cccnc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine?
The InChIKey is ZFSGQXISUNWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-15(2)22-14-7-6-12-18(22)17-11-8-13-20-19(17)21-16-9-4-3-5-10-16/h8,11,13,15-16,18H,3-7,9-10,12,14H2,1-2H3,(H,20,21).
What are the key properties of N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine?
N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine has a molecular weight of 301.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1-propan-2-ylpiperidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).