6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol

C16H31NO2 — CID 66322521

IUPAC6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCOCC1CCCC1)NC1CC1
InChIInChI=1S/C16H31NO2/c1-16(13-18,17-15-8-9-15)10-4-5-11-19-12-14-6-2-3-7-14/h14-15,17-18H,2-13H2,1H3
InChIKeyZUDRCBDZYGQZEC-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.87
Rot. Bonds10

About 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol

6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol (PubChem CID 66322521) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
PubChem CID66322521
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCOCC1CCCC1)NC1CC1
InChIInChI=1S/C16H31NO2/c1-16(13-18,17-15-8-9-15)10-4-5-11-19-12-14-6-2-3-7-14/h14-15,17-18H,2-13H2,1H3
InChIKeyZUDRCBDZYGQZEC-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.87
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

6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol (CID 66322521) is 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol is CC(CO)(CCCCOCC1CCCC1)NC1CC1.
What is the InChIKey of 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The InChIKey is ZUDRCBDZYGQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(13-18,17-15-8-9-15)10-4-5-11-19-12-14-6-2-3-7-14/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol?
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 66322521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).