N-(5-methyl-2-pyridinyl)azepan-4-amine

C12H19N3 — CID 107173810

IUPACN-(5-methyl-2-pyridinyl)azepan-4-amine
SMILESCc1ccc(NC2CCCNCC2)nc1
InChIInChI=1S/C12H19N3/c1-10-4-5-12(14-9-10)15-11-3-2-7-13-8-6-11/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,14,15)
InChIKeyGLNVYBYFYWTLIY-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.94
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)azepan-4-amine

N-(5-methyl-2-pyridinyl)azepan-4-amine (PubChem CID 107173810) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)azepan-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)azepan-4-amine
PubChem CID107173810
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(5-methyl-2-pyridinyl)azepan-4-amine
SMILESCc1ccc(NC2CCCNCC2)nc1
InChIInChI=1S/C12H19N3/c1-10-4-5-12(14-9-10)15-11-3-2-7-13-8-6-11/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,14,15)
InChIKeyGLNVYBYFYWTLIY-UHFFFAOYSA-N
XLogP1.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)azepan-4-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)azepan-4-amine (CID 107173810) is N-(5-methyl-2-pyridinyl)azepan-4-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)azepan-4-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)azepan-4-amine is Cc1ccc(NC2CCCNCC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)azepan-4-amine?
The InChIKey is GLNVYBYFYWTLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-5-12(14-9-10)15-11-3-2-7-13-8-6-11/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,14,15).
What are the key properties of N-(5-methyl-2-pyridinyl)azepan-4-amine?
N-(5-methyl-2-pyridinyl)azepan-4-amine has a molecular weight of 205.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)azepan-4-amine is sourced from PubChem (CID 107173810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).