4-methyl-1,4-oxazepan-6-amine

C6H14N2O — CID 42609119

IUPAC4-methyl-1,4-oxazepan-6-amine
SMILESCN1CCOCC(N)C1
InChIInChI=1S/C6H14N2O/c1-8-2-3-9-5-6(7)4-8/h6H,2-5,7H2,1H3
InChIKeyLHDGPYWEWPDORQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.72
Rot. Bonds

About 4-methyl-1,4-oxazepan-6-amine

4-methyl-1,4-oxazepan-6-amine (PubChem CID 42609119) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-methyl-1,4-oxazepan-6-amine.

Molecular Properties

Compound Name4-methyl-1,4-oxazepan-6-amine
PubChem CID42609119
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-methyl-1,4-oxazepan-6-amine
SMILESCN1CCOCC(N)C1
InChIInChI=1S/C6H14N2O/c1-8-2-3-9-5-6(7)4-8/h6H,2-5,7H2,1H3
InChIKeyLHDGPYWEWPDORQ-UHFFFAOYSA-N
XLogP-0.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,4-oxazepan-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-oxazepan-6-amine?
The IUPAC name of 4-methyl-1,4-oxazepan-6-amine (CID 42609119) is 4-methyl-1,4-oxazepan-6-amine.
What is the SMILES notation for 4-methyl-1,4-oxazepan-6-amine?
The canonical SMILES for 4-methyl-1,4-oxazepan-6-amine is CN1CCOCC(N)C1.
What is the InChIKey of 4-methyl-1,4-oxazepan-6-amine?
The InChIKey is LHDGPYWEWPDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(7)4-8/h6H,2-5,7H2,1H3.
What are the key properties of 4-methyl-1,4-oxazepan-6-amine?
4-methyl-1,4-oxazepan-6-amine has a molecular weight of 130.19 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-oxazepan-6-amine is sourced from PubChem (CID 42609119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).