2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol

C8H19NOS — CID 106506313

IUPAC2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol
SMILESCCSCCC(C)(CN)CO
InChIInChI=1S/C8H19NOS/c1-3-11-5-4-8(2,6-9)7-10/h10H,3-7,9H2,1-2H3
InChIKeyNRFSUMBPHQSRCL-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.09
Rot. Bonds6

About 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol

2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol (PubChem CID 106506313) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol
PubChem CID106506313
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol
SMILESCCSCCC(C)(CN)CO
InChIInChI=1S/C8H19NOS/c1-3-11-5-4-8(2,6-9)7-10/h10H,3-7,9H2,1-2H3
InChIKeyNRFSUMBPHQSRCL-UHFFFAOYSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.09
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

2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol
CID 106507686
2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid
CID 106487189
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
CID 173125900
CID 173125900
2-[3-[3-amino-2-(aminomethyl)-2-methylpropyl]sulfanylpropylsulfanylmethyl]-2-methylpropane-1,3-diamine
CID 101343383
3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride
CID 75476847
4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
CID 116504442
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
2-amino-2-(dimethylamino)propan-1-ol
CID 169080218

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol (CID 106506313) is 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol is CCSCCC(C)(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol?
The InChIKey is NRFSUMBPHQSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-11-5-4-8(2,6-9)7-10/h10H,3-7,9H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol?
2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol has a molecular weight of 177.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethylsulfanyl-2-methylbutan-1-ol is sourced from PubChem (CID 106506313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).