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

C16H31NOS — CID 64806770

IUPAC6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCSCC1CCCC1)NC1CC1
InChIInChI=1S/C16H31NOS/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
InChIKeyHMQZHVVUCVGILO-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.58
Rot. Bonds10

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

6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol (PubChem CID 64806770) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
PubChem CID64806770
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCSCC1CCCC1)NC1CC1
InChIInChI=1S/C16H31NOS/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
InChIKeyHMQZHVVUCVGILO-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.58
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-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646
5-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64806135
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808099
4-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818802
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64807185
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylbutanoic acid
CID 63120175
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol (CID 64806770) is 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol is CC(CO)(CCCCSCC1CCCC1)NC1CC1.
What is the InChIKey of 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The InChIKey is HMQZHVVUCVGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/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-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol has a molecular weight of 285.50 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64806770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).