2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol

C15H33NO3 — CID 64805299

IUPAC2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCOC(C)C
InChIInChI=1S/C15H33NO3/c1-13(2)16-15(5,12-17)8-6-7-9-18-10-11-19-14(3)4/h13-14,16-17H,6-12H2,1-5H3
InChIKeySGYDBHOFRDEJGB-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.35
Rot. Bonds12

About 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol

2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol (PubChem CID 64805299) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
PubChem CID64805299
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCOC(C)C
InChIInChI=1S/C15H33NO3/c1-13(2)16-15(5,12-17)8-6-7-9-18-10-11-19-14(3)4/h13-14,16-17H,6-12H2,1-5H3
InChIKeySGYDBHOFRDEJGB-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.35
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

6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 64803423
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 64803380
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol (CID 64805299) is 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol is CC(C)NC(C)(CO)CCCCOCCOC(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol?
The InChIKey is SGYDBHOFRDEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-13(2)16-15(5,12-17)8-6-7-9-18-10-11-19-14(3)4/h13-14,16-17H,6-12H2,1-5H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol?
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol has a molecular weight of 275.43 g/mol, XLogP of 2.35, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol is sourced from PubChem (CID 64805299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).