[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine

C15H30N2S — CID 59525171

IUPAC[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
SMILESCC(C)(C)SC1CNC(C2CCC(CN)CC2)C1
InChIInChI=1S/C15H30N2S/c1-15(2,3)18-13-8-14(17-10-13)12-6-4-11(9-16)5-7-12/h11-14,17H,4-10,16H2,1-3H3
InChIKeyUDZOYAMSZDFEEN-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.01
Rot. Bonds3

About [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine

[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine (PubChem CID 59525171) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
PubChem CID59525171
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
SMILESCC(C)(C)SC1CNC(C2CCC(CN)CC2)C1
InChIInChI=1S/C15H30N2S/c1-15(2,3)18-13-8-14(17-10-13)12-6-4-11(9-16)5-7-12/h11-14,17H,4-10,16H2,1-3H3
InChIKeyUDZOYAMSZDFEEN-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine (CID 59525171) is [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine is CC(C)(C)SC1CNC(C2CCC(CN)CC2)C1.
What is the InChIKey of [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine?
The InChIKey is UDZOYAMSZDFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-15(2,3)18-13-8-14(17-10-13)12-6-4-11(9-16)5-7-12/h11-14,17H,4-10,16H2,1-3H3.
What are the key properties of [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine?
[4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine has a molecular weight of 270.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 59525171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).