5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol

C15H29NOS — CID 64808099

IUPAC5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CO)(CCCSC1CCCCC1)NC1CC1
InChIInChI=1S/C15H29NOS/c1-15(12-17,16-13-8-9-13)10-5-11-18-14-6-3-2-4-7-14/h13-14,16-17H,2-12H2,1H3
InChIKeyKCAMYFYWOLCWBJ-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.34
Rot. Bonds8

About 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol

5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol (PubChem CID 64808099) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
PubChem CID64808099
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CO)(CCCSC1CCCCC1)NC1CC1
InChIInChI=1S/C15H29NOS/c1-15(12-17,16-13-8-9-13)10-5-11-18-14-6-3-2-4-7-14/h13-14,16-17H,2-12H2,1H3
InChIKeyKCAMYFYWOLCWBJ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.34
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

2-amino-5-cyclopentylsulfanyl-2-methylpentan-1-ol
CID 64806339
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylbutan-1-ol
CID 64806644
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64808104
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
4-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818802
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
1,9-bis(cyclohexylsulfanyl)-4,6-bis(3-cyclohexylsulfanylpropyl)nonane-4,6-diol
CID 167634347
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol (CID 64808099) is 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol is CC(CO)(CCCSC1CCCCC1)NC1CC1.
What is the InChIKey of 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The InChIKey is KCAMYFYWOLCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-15(12-17,16-13-8-9-13)10-5-11-18-14-6-3-2-4-7-14/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol has a molecular weight of 271.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64808099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).