4-amino-3,3-dimethylhexane-1-thiol

C8H19NS — CID 166458300

IUPAC4-amino-3,3-dimethylhexane-1-thiol
SMILESCCC(N)C(C)(C)CCS
InChIInChI=1S/C8H19NS/c1-4-7(9)8(2,3)5-6-10/h7,10H,4-6,9H2,1-3H3
InChIKeyGOCGVCPPJKFGIN-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.07
Rot. Bonds4

About 4-amino-3,3-dimethylhexane-1-thiol

4-amino-3,3-dimethylhexane-1-thiol (PubChem CID 166458300) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4-amino-3,3-dimethylhexane-1-thiol.

Molecular Properties

Compound Name4-amino-3,3-dimethylhexane-1-thiol
PubChem CID166458300
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4-amino-3,3-dimethylhexane-1-thiol
SMILESCCC(N)C(C)(C)CCS
InChIInChI=1S/C8H19NS/c1-4-7(9)8(2,3)5-6-10/h7,10H,4-6,9H2,1-3H3
InChIKeyGOCGVCPPJKFGIN-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylhexane-1,4-diamine
CID 116934427
1-N,2,2-trimethylpentane-1,3-diamine
CID 162525964
5-amino-4,4-dimethylheptan-2-ol;ethane
CID 170613852
4-ethyl-4-methylhexan-3-amine
CID 163866952
(3S)-4-ethyl-4-methylheptan-3-amine
CID 163621922
4,4-dimethylnonan-5-amine
CID 87513740
4-amino-3-ethylhexane-3-thiol
CID 19896314
2-tert-butylsilyloxy-2-methylpentan-3-amine
CID 154428412
4-fluoro-4-methylhexan-3-amine
CID 167068220
3,3,6,6-tetramethylnonan-5-amine
CID 89328233
CID 169179164
CID 169179164
1-amino-2,2-dimethylpropane-1,3-dithiol
CID 87863936

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylhexane-1-thiol?
The IUPAC name of 4-amino-3,3-dimethylhexane-1-thiol (CID 166458300) is 4-amino-3,3-dimethylhexane-1-thiol.
What is the SMILES notation for 4-amino-3,3-dimethylhexane-1-thiol?
The canonical SMILES for 4-amino-3,3-dimethylhexane-1-thiol is CCC(N)C(C)(C)CCS.
What is the InChIKey of 4-amino-3,3-dimethylhexane-1-thiol?
The InChIKey is GOCGVCPPJKFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7(9)8(2,3)5-6-10/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethylhexane-1-thiol?
4-amino-3,3-dimethylhexane-1-thiol has a molecular weight of 161.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethylhexane-1-thiol is sourced from PubChem (CID 166458300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).