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

C17H35NO2 — CID 64808927

IUPAC6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOC1CCCCCC1
InChIInChI=1S/C17H35NO2/c1-15(2)18-17(3,14-19)12-8-9-13-20-16-10-6-4-5-7-11-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyIYEGADHOQPOPME-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.65
Rot. Bonds9

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

6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64808927) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64808927
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOC1CCCCCC1
InChIInChI=1S/C17H35NO2/c1-15(2)18-17(3,14-19)12-8-9-13-20-16-10-6-4-5-7-11-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyIYEGADHOQPOPME-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64803235
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-amino-6-cyclopentyloxy-2-methylhexan-1-ol
CID 64803652
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64808927) is 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOC1CCCCCC1.
What is the InChIKey of 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is IYEGADHOQPOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-15(2)18-17(3,14-19)12-8-9-13-20-16-10-6-4-5-7-11-16/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64808927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).