4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine

C12H24N2S — CID 22011694

IUPAC4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine
SMILESNC1CCC(SC2CCC(N)CC2)CC1
InChIInChI=1S/C12H24N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeyPOZODAZKTCILOO-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine

4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine (PubChem CID 22011694) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine
PubChem CID22011694
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine
SMILESNC1CCC(SC2CCC(N)CC2)CC1
InChIInChI=1S/C12H24N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeyPOZODAZKTCILOO-UHFFFAOYSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine (CID 22011694) is 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine is NC1CCC(SC2CCC(N)CC2)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The InChIKey is POZODAZKTCILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2.
What are the key properties of 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine?
4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 22011694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).