6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol

C11H25NOS — CID 107703420

IUPAC6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
SMILESCSCC(C)CNCCCCCCO
InChIInChI=1S/C11H25NOS/c1-11(10-14-2)9-12-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3
InChIKeyQAJCXFQWVAYEIH-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.13
Rot. Bonds10

About 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol

6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol (PubChem CID 107703420) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
PubChem CID107703420
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
SMILESCSCC(C)CNCCCCCCO
InChIInChI=1S/C11H25NOS/c1-11(10-14-2)9-12-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3
InChIKeyQAJCXFQWVAYEIH-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.13
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

5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
CID 63967364
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
CID 79356294
4-[(2-methyl-3-methylsulfanylpropyl)amino]butanoic acid
CID 63966932
6-(2,3-dimethylbutylamino)hexan-1-ol
CID 107703430
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
6-(7-methyloctylamino)hexan-1-ol
CID 107814970

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol (CID 107703420) is 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol is CSCC(C)CNCCCCCCO.
What is the InChIKey of 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol?
The InChIKey is QAJCXFQWVAYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-11(10-14-2)9-12-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol?
6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol is sourced from PubChem (CID 107703420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).