6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine

C11H17N3O — CID 80653054

IUPAC6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
SMILESCC1CN(c2cccc(N)n2)CCCO1
InChIInChI=1S/C11H17N3O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3,(H2,12,13)
InChIKeyDVIRVNWFSSZSPJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds1

About 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine

6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine (PubChem CID 80653054) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
PubChem CID80653054
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
SMILESCC1CN(c2cccc(N)n2)CCCO1
InChIInChI=1S/C11H17N3O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3,(H2,12,13)
InChIKeyDVIRVNWFSSZSPJ-UHFFFAOYSA-N
XLogP1.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine?
The IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine (CID 80653054) is 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine is CC1CN(c2cccc(N)n2)CCCO1.
What is the InChIKey of 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine?
The InChIKey is DVIRVNWFSSZSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3,(H2,12,13).
What are the key properties of 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine?
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine is sourced from PubChem (CID 80653054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).