5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine

C15H25N3 — CID 83266554

IUPAC5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
SMILESCc1cnc(N2CCCC(C(C)C)CC2)cc1N
InChIInChI=1S/C15H25N3/c1-11(2)13-5-4-7-18(8-6-13)15-9-14(16)12(3)10-17-15/h9-11,13H,4-8H2,1-3H3,(H2,16,17)
InChIKeyXJRVESAPTKJYHX-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.23
Rot. Bonds2

About 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine

5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine (PubChem CID 83266554) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
PubChem CID83266554
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
SMILESCc1cnc(N2CCCC(C(C)C)CC2)cc1N
InChIInChI=1S/C15H25N3/c1-11(2)13-5-4-7-18(8-6-13)15-9-14(16)12(3)10-17-15/h9-11,13H,4-8H2,1-3H3,(H2,16,17)
InChIKeyXJRVESAPTKJYHX-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine?
The IUPAC name of 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine (CID 83266554) is 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine.
What is the SMILES notation for 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine?
The canonical SMILES for 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine is Cc1cnc(N2CCCC(C(C)C)CC2)cc1N.
What is the InChIKey of 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine?
The InChIKey is XJRVESAPTKJYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)13-5-4-7-18(8-6-13)15-9-14(16)12(3)10-17-15/h9-11,13H,4-8H2,1-3H3,(H2,16,17).
What are the key properties of 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine?
5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine is sourced from PubChem (CID 83266554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).