4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol

C11H26N2OS — CID 130217524

IUPAC4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
SMILESCC(COC(C)(S)C(C)CN)C(C)(C)N
InChIInChI=1S/C11H26N2OS/c1-8(6-12)11(5,15)14-7-9(2)10(3,4)13/h8-9,15H,6-7,12-13H2,1-5H3
InChIKeyCAUIQJIQBGXWHS-UHFFFAOYSA-N
MW234.41 g/mol
LogP1.62
Rot. Bonds6

About 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol

4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol (PubChem CID 130217524) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol.

Molecular Properties

Compound Name4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
PubChem CID130217524
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Name4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
SMILESCC(COC(C)(S)C(C)CN)C(C)(C)N
InChIInChI=1S/C11H26N2OS/c1-8(6-12)11(5,15)14-7-9(2)10(3,4)13/h8-9,15H,6-7,12-13H2,1-5H3
InChIKeyCAUIQJIQBGXWHS-UHFFFAOYSA-N
XLogP1.62
TPSA61.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol
CID 155577421
2,3-dimethylpentane-1,3-diamine
CID 141278294
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 170286523
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 175624779
2,3-dimethyl-4-trimethoxysilylbutan-2-amine
CID 89392385
(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
3-amino-2-methylpropane-1,1,1-triol
CID 18979369

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol?
The IUPAC name of 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol (CID 130217524) is 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol.
What is the SMILES notation for 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol?
The canonical SMILES for 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol is CC(COC(C)(S)C(C)CN)C(C)(C)N.
What is the InChIKey of 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol?
The InChIKey is CAUIQJIQBGXWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2OS/c1-8(6-12)11(5,15)14-7-9(2)10(3,4)13/h8-9,15H,6-7,12-13H2,1-5H3.
What are the key properties of 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol?
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol has a molecular weight of 234.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol is sourced from PubChem (CID 130217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).