2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol

C12H25NOS — CID 115927341

IUPAC2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
SMILESCCC(C)(CO)NC1CCCCC1SC
InChIInChI=1S/C12H25NOS/c1-4-12(2,9-14)13-10-7-5-6-8-11(10)15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPMGVEKWJIONFDR-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds5

About 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol

2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol (PubChem CID 115927341) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
PubChem CID115927341
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
SMILESCCC(C)(CO)NC1CCCCC1SC
InChIInChI=1S/C12H25NOS/c1-4-12(2,9-14)13-10-7-5-6-8-11(10)15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPMGVEKWJIONFDR-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol (CID 115927341) is 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol is CCC(C)(CO)NC1CCCCC1SC.
What is the InChIKey of 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol?
The InChIKey is PMGVEKWJIONFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-12(2,9-14)13-10-7-5-6-8-11(10)15-3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol?
2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 115927341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).