2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol

C13H27NO3 — CID 64811178

IUPAC2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
SMILESCC(N)(CO)CCCCOCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-13(14,11-15)6-2-3-7-17-10-12-4-8-16-9-5-12/h12,15H,2-11,14H2,1H3
InChIKeyUVSJOYIFPJWKNE-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.31
Rot. Bonds8

About 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol

2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol (PubChem CID 64811178) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
PubChem CID64811178
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
SMILESCC(N)(CO)CCCCOCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-13(14,11-15)6-2-3-7-17-10-12-4-8-16-9-5-12/h12,15H,2-11,14H2,1H3
InChIKeyUVSJOYIFPJWKNE-UHFFFAOYSA-N
XLogP1.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
CID 106708670
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
CID 64811806
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
2-amino-6-cyclopentyloxy-2-methylhexan-1-ol
CID 64803652
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
4-(5-chloropentoxymethyl)oxane
CID 62382987
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195
2-amino-5-butoxy-2-methylpentan-1-ol
CID 64807302

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol (CID 64811178) is 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol is CC(N)(CO)CCCCOCC1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The InChIKey is UVSJOYIFPJWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-13(14,11-15)6-2-3-7-17-10-12-4-8-16-9-5-12/h12,15H,2-11,14H2,1H3.
What are the key properties of 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol is sourced from PubChem (CID 64811178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).