6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol

C14H31NO2S — CID 64806971

IUPAC6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSCCCOC
InChIInChI=1S/C14H31NO2S/c1-4-9-15-14(2,13-16)8-5-6-11-18-12-7-10-17-3/h15-16H,4-13H2,1-3H3
InChIKeySXYKEICQPVFNJZ-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.68
Rot. Bonds13

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

6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64806971) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64806971
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSCCCOC
InChIInChI=1S/C14H31NO2S/c1-4-9-15-14(2,13-16)8-5-6-11-18-12-7-10-17-3/h15-16H,4-13H2,1-3H3
InChIKeySXYKEICQPVFNJZ-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646
6-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825748
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
5-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64825355
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanoic acid
CID 63855971

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64806971) is 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCSCCCOC.
What is the InChIKey of 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is SXYKEICQPVFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-4-9-15-14(2,13-16)8-5-6-11-18-12-7-10-17-3/h15-16H,4-13H2,1-3H3.
What are the key properties of 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 277.47 g/mol, XLogP of 2.68, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64806971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).