[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine

C13H21N3O — CID 113379380

IUPAC[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-6-12(8-14)7-13(15-10)16-4-3-5-17-11(2)9-16/h6-7,11H,3-5,8-9,14H2,1-2H3
InChIKeyAQOXSYSKEFMCLD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds2

About [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine

[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine (PubChem CID 113379380) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
PubChem CID113379380
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-6-12(8-14)7-13(15-10)16-4-3-5-17-11(2)9-16/h6-7,11H,3-5,8-9,14H2,1-2H3
InChIKeyAQOXSYSKEFMCLD-UHFFFAOYSA-N
XLogP1.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2-methyl-1,4-oxazepane
CID 113380721
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
CID 106667672
[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanamine
CID 62987895
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
CID 114765128
[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 55152369
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane
CID 146127392
[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80965044
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 62967987

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine (CID 113379380) is [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine is Cc1cc(CN)cc(N2CCCOC(C)C2)n1.
What is the InChIKey of [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine?
The InChIKey is AQOXSYSKEFMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-12(8-14)7-13(15-10)16-4-3-5-17-11(2)9-16/h6-7,11H,3-5,8-9,14H2,1-2H3.
What are the key properties of [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine?
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 113379380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).