2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol

C17H35NOS — CID 64807359

IUPAC2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSC1CCCC(C)C1
InChIInChI=1S/C17H35NOS/c1-4-11-18-17(3,14-19)10-5-6-12-20-16-9-7-8-15(2)13-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyJNRZVJLBRIRRGT-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.22
Rot. Bonds10

About 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol

2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol (PubChem CID 64807359) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
PubChem CID64807359
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSC1CCCC(C)C1
InChIInChI=1S/C17H35NOS/c1-4-11-18-17(3,14-19)10-5-6-12-20-16-9-7-8-15(2)13-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyJNRZVJLBRIRRGT-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.22
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-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64808104
2-methyl-5-(3-methylcyclohexyl)sulfanyl-2-(propylamino)pentanenitrile
CID 55111275
2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
CID 62720486
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylbutan-1-ol
CID 64806644
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol (CID 64807359) is 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCSC1CCCC(C)C1.
What is the InChIKey of 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol?
The InChIKey is JNRZVJLBRIRRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-4-11-18-17(3,14-19)10-5-6-12-20-16-9-7-8-15(2)13-16/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol?
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol has a molecular weight of 301.54 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64807359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).