5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine

C17H29N3 — CID 64763897

IUPAC5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N
InChIInChI=1S/C17H29N3/c1-11-6-7-13(15(9-11)19-5)17(3,4)14-8-12(2)10-20-16(14)18/h8,10-11,13,15,19H,6-7,9H2,1-5H3,(H2,18,20)
InChIKeyGWIZEWMXQLNASA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.27
Rot. Bonds3

About 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine

5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine (PubChem CID 64763897) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine
PubChem CID64763897
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N
InChIInChI=1S/C17H29N3/c1-11-6-7-13(15(9-11)19-5)17(3,4)14-8-12(2)10-20-16(14)18/h8,10-11,13,15,19H,6-7,9H2,1-5H3,(H2,18,20)
InChIKeyGWIZEWMXQLNASA-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine (CID 64763897) is 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine is CNC1CC(C)CCC1C(C)(C)c1cc(C)cnc1N.
What is the InChIKey of 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine?
The InChIKey is GWIZEWMXQLNASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11-6-7-13(15(9-11)19-5)17(3,4)14-8-12(2)10-20-16(14)18/h8,10-11,13,15,19H,6-7,9H2,1-5H3,(H2,18,20).
What are the key properties of 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine?
5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-methyl-2-(methylamino)cyclohexyl]propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 64763897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).