[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine

C13H21N3O — CID 55152369

IUPAC[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-4-5-12(8-14)13(15-10)16-6-3-7-17-11(2)9-16/h4-5,11H,3,6-9,14H2,1-2H3
InChIKeyPVKNKWQSKYBTAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds2

About [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine

[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (PubChem CID 55152369) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
PubChem CID55152369
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-4-5-12(8-14)13(15-10)16-6-3-7-17-11(2)9-16/h4-5,11H,3,6-9,14H2,1-2H3
InChIKeyPVKNKWQSKYBTAM-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

Analyze [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 55142313
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methanamine
CID 79931998
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615
[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanamine
CID 62987895
[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
[2-(2,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 55040320
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
4-[4-(bromomethyl)-3-methylphenyl]-2-methyl-1,4-oxazepane
CID 107082966
[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80919581
[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
CID 83184895

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (CID 55152369) is [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is Cc1ccc(CN)c(N2CCCOC(C)C2)n1.
What is the InChIKey of [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is PVKNKWQSKYBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-5-12(8-14)13(15-10)16-6-3-7-17-11(2)9-16/h4-5,11H,3,6-9,14H2,1-2H3.
What are the key properties of [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-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 [6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 55152369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).