2-(1-aminobutan-2-ylsulfanyl)butan-1-amine

C8H20N2S — CID 154144954

IUPAC2-(1-aminobutan-2-ylsulfanyl)butan-1-amine
SMILESCCC(CN)SC(CC)CN
InChIInChI=1S/C8H20N2S/c1-3-7(5-9)11-8(4-2)6-10/h7-8H,3-6,9-10H2,1-2H3
InChIKeyZLWNCKLXNHAIEV-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.19
Rot. Bonds6

About 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine

2-(1-aminobutan-2-ylsulfanyl)butan-1-amine (PubChem CID 154144954) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-(1-aminobutan-2-ylsulfanyl)butan-1-amine
PubChem CID154144954
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name2-(1-aminobutan-2-ylsulfanyl)butan-1-amine
SMILESCCC(CN)SC(CC)CN
InChIInChI=1S/C8H20N2S/c1-3-7(5-9)11-8(4-2)6-10/h7-8H,3-6,9-10H2,1-2H3
InChIKeyZLWNCKLXNHAIEV-UHFFFAOYSA-N
XLogP1.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylsulfanyl)butan-1-amine
CID 107752265
2-prop-2-enylsulfanylbutan-1-amine
CID 130507946
3-octan-3-ylsulfanyloctane
CID 15742914
2-fluorobutan-1-amine;hydrochloride
CID 71755419
2-ethylpropane-1,3-diamine
CID 14499053
3-nonan-3-ylsulfanylnonane
CID 54313022
ethanamine;dihydrochloride
CID 173015801
ethanamine;tetrahydrochloride
CID 175906401
2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
CID 106923813
(2S)-2-methoxybutan-1-amine
CID 42427147
2-(aminomethyl)butane-1-thiol;hydrochloride
CID 155665114
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine (CID 154144954) is 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine is CCC(CN)SC(CC)CN.
What is the InChIKey of 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine?
The InChIKey is ZLWNCKLXNHAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-3-7(5-9)11-8(4-2)6-10/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine?
2-(1-aminobutan-2-ylsulfanyl)butan-1-amine has a molecular weight of 176.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutan-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 154144954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).