5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol

C10H23NOS — CID 63967364

IUPAC5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
SMILESCSCC(C)CNCCCCCO
InChIInChI=1S/C10H23NOS/c1-10(9-13-2)8-11-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyOMVQHDPQSPRFGB-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.74
Rot. Bonds9

About 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol

5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol (PubChem CID 63967364) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
PubChem CID63967364
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
SMILESCSCC(C)CNCCCCCO
InChIInChI=1S/C10H23NOS/c1-10(9-13-2)8-11-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyOMVQHDPQSPRFGB-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.74
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-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
CID 107703420
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 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol (CID 63967364) is 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol is CSCC(C)CNCCCCCO.
What is the InChIKey of 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
The InChIKey is OMVQHDPQSPRFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(9-13-2)8-11-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol?
5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 63967364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).