6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C14H31NO3 — CID 64810830

IUPAC6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCOCCCOCCCCC(C)(CO)NC(C)C
InChIInChI=1S/C14H31NO3/c1-13(2)15-14(3,12-16)8-5-6-10-18-11-7-9-17-4/h13,15-16H,5-12H2,1-4H3
InChIKeyJXXJFRIVCDUTKA-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.96
Rot. Bonds12

About 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64810830) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64810830
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCOCCCOCCCCC(C)(CO)NC(C)C
InChIInChI=1S/C14H31NO3/c1-13(2)15-14(3,12-16)8-5-6-10-18-11-7-9-17-4/h13,15-16H,5-12H2,1-4H3
InChIKeyJXXJFRIVCDUTKA-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.96
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-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
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
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64820822
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 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64810830) is 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is COCCCOCCCCC(C)(CO)NC(C)C.
What is the InChIKey of 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is JXXJFRIVCDUTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-13(2)15-14(3,12-16)8-5-6-10-18-11-7-9-17-4/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 1.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64810830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).