4-tert-butylsulfanylbutan-1-amine

C8H19NS — CID 43530053

IUPAC4-tert-butylsulfanylbutan-1-amine
SMILESCC(C)(C)SCCCCN
InChIInChI=1S/C8H19NS/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3
InChIKeyVPKCCPWKFINCBE-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.26
Rot. Bonds4

About 4-tert-butylsulfanylbutan-1-amine

4-tert-butylsulfanylbutan-1-amine (PubChem CID 43530053) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4-tert-butylsulfanylbutan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfanylbutan-1-amine
PubChem CID43530053
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4-tert-butylsulfanylbutan-1-amine
SMILESCC(C)(C)SCCCCN
InChIInChI=1S/C8H19NS/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3
InChIKeyVPKCCPWKFINCBE-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylsulfanyl)butan-1-amine
CID 533935
2-(tert-Butylthio)ethanamine
CID 2774519
2-(tert-Butylthio)ethylammonium chloride
CID 2776973
3-(Ethylsulfanyl)propan-1-amine
CID 21485330
4-[(3-Aminopropyl)sulfanyl]butan-1-amine
CID 14585885
Ethanamine, 2-(hexylthio)-, hydrochloride
CID 5463789
[2-(Butylthio)ethyl]amine hydrochloride
CID 17221239
4-[(2-Aminoethyl)sulfanyl]butan-1-amine
CID 23422449
4-Aminobutyl sulfide
CID 23422450
2-Tert-butylsulfanylethylazanium chloride
CID 3017172
Ethanamine, 2-(butylthio)-
CID 304044
2-(Propylthio)ethylamine
CID 6429132

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylbutan-1-amine?
The IUPAC name of 4-tert-butylsulfanylbutan-1-amine (CID 43530053) is 4-tert-butylsulfanylbutan-1-amine.
What is the SMILES notation for 4-tert-butylsulfanylbutan-1-amine?
The canonical SMILES for 4-tert-butylsulfanylbutan-1-amine is CC(C)(C)SCCCCN.
What is the InChIKey of 4-tert-butylsulfanylbutan-1-amine?
The InChIKey is VPKCCPWKFINCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3.
What are the key properties of 4-tert-butylsulfanylbutan-1-amine?
4-tert-butylsulfanylbutan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylbutan-1-amine is sourced from PubChem (CID 43530053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).