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

C8H20N2O — CID 178036626

IUPACethane;4-methyl-1,4-oxazepan-6-amine
SMILESCC.CN1CCOCC(N)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-2-3-9-5-6(7)4-8;1-2/h6H,2-5,7H2,1H3;1-2H3
InChIKeyFLVKFJWZPZHDCG-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds

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

ethane;4-methyl-1,4-oxazepan-6-amine (PubChem CID 178036626) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;4-methyl-1,4-oxazepan-6-amine.

Molecular Properties

Compound Nameethane;4-methyl-1,4-oxazepan-6-amine
PubChem CID178036626
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Nameethane;4-methyl-1,4-oxazepan-6-amine
SMILESCC.CN1CCOCC(N)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-2-3-9-5-6(7)4-8;1-2/h6H,2-5,7H2,1H3;1-2H3
InChIKeyFLVKFJWZPZHDCG-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;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

Related Compounds

ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
CID 118445298
ethane;4-methylmorpholine
CID 54432133
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076
(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
CID 135232133
(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol
CID 122548054
3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669
4,6-dimethyl-1,4-oxazepane;ethane;(6S)-6-methyl-4-propan-2-yl-1,4-oxazepane
CID 177186980
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
2-[(4-methyl-1,4-oxazepan-6-yl)oxy]ethanol
CID 118230256
2-fluoro-4-methylmorpholine
CID 86015545

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,4-oxazepan-6-amine?
The IUPAC name of ethane;4-methyl-1,4-oxazepan-6-amine (CID 178036626) is ethane;4-methyl-1,4-oxazepan-6-amine.
What is the SMILES notation for ethane;4-methyl-1,4-oxazepan-6-amine?
The canonical SMILES for ethane;4-methyl-1,4-oxazepan-6-amine is CC.CN1CCOCC(N)C1.
What is the InChIKey of ethane;4-methyl-1,4-oxazepan-6-amine?
The InChIKey is FLVKFJWZPZHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-8-2-3-9-5-6(7)4-8;1-2/h6H,2-5,7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1,4-oxazepan-6-amine?
ethane;4-methyl-1,4-oxazepan-6-amine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,4-oxazepan-6-amine is sourced from PubChem (CID 178036626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).