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

C10H22N2S — CID 66225345

IUPAC4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC(CCN)SC1CCC(N)CC1
InChIInChI=1S/C10H22N2S/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h8-10H,2-7,11-12H2,1H3
InChIKeyTYDHVMDTZKIVRG-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.73
Rot. Bonds4

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

4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 66225345) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID66225345
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC(CCN)SC1CCC(N)CC1
InChIInChI=1S/C10H22N2S/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h8-10H,2-7,11-12H2,1H3
InChIKeyTYDHVMDTZKIVRG-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

2-(Ethylthio)cyclohexanamine
CID 64615066
4-(Methylsulfanyl)cyclohexan-1-amine
CID 62808674
2-Aminocyclohexylsulfide
CID 68500381
trans-2-Ethylthiocyclohexylamine
CID 95773597
trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine
CID 10899390
trans-(1R,2R)-2-cyclohexylsulfanylcyclohexan-1-amine
CID 10932796
2-(Methylsulfanyl)cyclohexan-1-amine
CID 12770089
Rac-(1r,2r)-2-(methylsulfanyl)cyclohexan-1-amine
CID 12770090
6-Methylthian-3-amine
CID 15084375
4-(4-Aminocyclohexyl)sulfanylcyclohexan-1-amine
CID 22011694
7-(5-Aminoheptylsulfanyl)heptan-3-amine
CID 54109872
4-Cyclohexylsulfanylhexan-1-amine
CID 57235156

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine (CID 66225345) is 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine is CC(CCN)SC1CCC(N)CC1.
What is the InChIKey of 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is TYDHVMDTZKIVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h8-10H,2-7,11-12H2,1H3.
What are the key properties of 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine?
4-(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 4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 66225345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).