2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H30N2S — CID 64734690

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CC(C)SC(C)C2)C(N)C1
InChIInChI=1S/C15H30N2S/c1-10-5-11(2)14(15(16)6-10)9-17-7-12(3)18-13(4)8-17/h10-15H,5-9,16H2,1-4H3
InChIKeyAVPWYAIVUODRPC-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.82
Rot. Bonds2

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734690) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64734690
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CC(C)SC(C)C2)C(N)C1
InChIInChI=1S/C15H30N2S/c1-10-5-11(2)14(15(16)6-10)9-17-7-12(3)18-13(4)8-17/h10-15H,5-9,16H2,1-4H3
InChIKeyAVPWYAIVUODRPC-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64734690) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(CN2CC(C)SC(C)C2)C(N)C1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is AVPWYAIVUODRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-10-5-11(2)14(15(16)6-10)9-17-7-12(3)18-13(4)8-17/h10-15H,5-9,16H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).