6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol

C16H33NOS — CID 64808646

IUPAC6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSCC1CCCC1
InChIInChI=1S/C16H33NOS/c1-3-11-17-16(2,14-18)10-6-7-12-19-13-15-8-4-5-9-15/h15,17-18H,3-14H2,1-2H3
InChIKeyWHAXPLUQGKSFMZ-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.83
Rot. Bonds11

About 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol

6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64808646) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64808646
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSCC1CCCC1
InChIInChI=1S/C16H33NOS/c1-3-11-17-16(2,14-18)10-6-7-12-19-13-15-8-4-5-9-15/h15,17-18H,3-14H2,1-2H3
InChIKeyWHAXPLUQGKSFMZ-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.83
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

4-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64807185
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
5-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64806135
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64808104
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64808646) is 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCSCC1CCCC1.
What is the InChIKey of 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is WHAXPLUQGKSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-3-11-17-16(2,14-18)10-6-7-12-19-13-15-8-4-5-9-15/h15,17-18H,3-14H2,1-2H3.
What are the key properties of 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 287.51 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64808646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).