6-(oxan-4-ylmethoxy)hexan-2-amine

C12H25NO2 — CID 62382428

IUPAC6-(oxan-4-ylmethoxy)hexan-2-amine
SMILESCC(N)CCCCOCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h11-12H,2-10,13H2,1H3
InChIKeyDMXIZVFFBXRETE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds7

About 6-(oxan-4-ylmethoxy)hexan-2-amine

6-(oxan-4-ylmethoxy)hexan-2-amine (PubChem CID 62382428) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)hexan-2-amine.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)hexan-2-amine
PubChem CID62382428
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-(oxan-4-ylmethoxy)hexan-2-amine
SMILESCC(N)CCCCOCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h11-12H,2-10,13H2,1H3
InChIKeyDMXIZVFFBXRETE-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(oxan-4-ylmethoxy)hexan-2-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

6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
2-amino-4-(oxan-4-ylmethoxy)butanenitrile
CID 63055278
4-(5-chloropentoxymethyl)oxane
CID 62382987
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)hexan-2-amine?
The IUPAC name of 6-(oxan-4-ylmethoxy)hexan-2-amine (CID 62382428) is 6-(oxan-4-ylmethoxy)hexan-2-amine.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)hexan-2-amine?
The canonical SMILES for 6-(oxan-4-ylmethoxy)hexan-2-amine is CC(N)CCCCOCC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)hexan-2-amine?
The InChIKey is DMXIZVFFBXRETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 6-(oxan-4-ylmethoxy)hexan-2-amine?
6-(oxan-4-ylmethoxy)hexan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)hexan-2-amine is sourced from PubChem (CID 62382428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).