1-(1-adamantyl)-2-cyclohexylsulfanylethanamine

C18H31NS — CID 64633830

IUPAC1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17H,1-12,19H2
InChIKeyOZSUGQLFCZMAPK-UHFFFAOYSA-N
MW293.52 g/mol
LogP4.60
Rot. Bonds4

About 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine

1-(1-adamantyl)-2-cyclohexylsulfanylethanamine (PubChem CID 64633830) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
PubChem CID64633830
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17H,1-12,19H2
InChIKeyOZSUGQLFCZMAPK-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine (CID 64633830) is 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine is NC(CSC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine?
The InChIKey is OZSUGQLFCZMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17H,1-12,19H2.
What are the key properties of 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine?
1-(1-adamantyl)-2-cyclohexylsulfanylethanamine has a molecular weight of 293.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cyclohexylsulfanylethanamine is sourced from PubChem (CID 64633830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).