1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine

C8H19NS — CID 89056247

IUPAC1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine
SMILESCC(N)SC(C)C(C)(C)C
InChIInChI=1S/C8H19NS/c1-6(8(3,4)5)10-7(2)9/h6-7H,9H2,1-5H3
InChIKeyVLCPYSBLIAEIHW-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.46
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine

1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine (PubChem CID 89056247) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine
PubChem CID89056247
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine
SMILESCC(N)SC(C)C(C)(C)C
InChIInChI=1S/C8H19NS/c1-6(8(3,4)5)10-7(2)9/h6-7H,9H2,1-5H3
InChIKeyVLCPYSBLIAEIHW-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethylpentane-2,4-diamine
CID 22186538
2,4-dimethylpentane-2,3,4-triamine;trihydrochloride
CID 142691028
ethane-1,1-diamine;tetrahydrochloride
CID 142050640
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
4-(3,3-dimethylbutan-2-ylsulfanyl)-2-methylbutan-2-amine
CID 146199205
3,3-dimethylbutan-2-amine;N-methylmethanamine
CID 143170120
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
potassium;carbonic acid;hydride;2,3,4-trimethylpentan-3-amine
CID 174931544
(2R)-3-methylbutan-2-amine
CID 6999786
propan-2-amine;hydrate;hydrochloride
CID 162153809

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine (CID 89056247) is 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine is CC(N)SC(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine?
The InChIKey is VLCPYSBLIAEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6(8(3,4)5)10-7(2)9/h6-7H,9H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine?
1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine has a molecular weight of 161.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 89056247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).