2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine

C10H22N2S — CID 106440988

IUPAC2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC(CCN)SC1CCCCC1N
InChIInChI=1S/C10H22N2S/c1-8(6-7-11)13-10-5-3-2-4-9(10)12/h8-10H,2-7,11-12H2,1H3
InChIKeyADUJHZPVLIMKTR-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine

2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 106440988) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID106440988
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC(CCN)SC1CCCCC1N
InChIInChI=1S/C10H22N2S/c1-8(6-7-11)13-10-5-3-2-4-9(10)12/h8-10H,2-7,11-12H2,1H3
InChIKeyADUJHZPVLIMKTR-UHFFFAOYSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylcyclohexyl)sulfanylbutan-1-amine
CID 66231198
3-(2-aminocyclooctyl)sulfanylbutan-1-ol
CID 66138218
2-butan-2-ylsulfanylcyclopentan-1-amine
CID 64613407
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
CID 66225345
2-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine
CID 107747108
3-(3-amino-2-methylcyclopentyl)sulfanylbutan-1-ol
CID 66135991
3-(4-aminobutan-2-ylsulfanyl)azepan-2-one
CID 66228606
2-(2-aminoethylsulfanyl)cyclopentan-1-amine
CID 80662216
3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
CID 66231196
3-(4-aminobutan-2-ylsulfanyl)-1-cycloheptylpyrrolidine-2,5-dione
CID 66231168
trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
CID 102735775

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine (CID 106440988) is 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine is CC(CCN)SC1CCCCC1N.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is ADUJHZPVLIMKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(6-7-11)13-10-5-3-2-4-9(10)12/h8-10H,2-7,11-12H2,1H3.
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 106440988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).