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

C13H27NOS — CID 115895188

IUPAC2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCCC1SC
InChIInChI=1S/C13H27NOS/c1-4-13(2,10-15)9-14-11-7-5-6-8-12(11)16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIHSKSVFPRZYDFK-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.66
Rot. Bonds6

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

2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol (PubChem CID 115895188) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol
PubChem CID115895188
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCCC1SC
InChIInChI=1S/C13H27NOS/c1-4-13(2,10-15)9-14-11-7-5-6-8-12(11)16-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyIHSKSVFPRZYDFK-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
CID 115927341
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol (CID 115895188) is 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol is CCC(C)(CO)CNC1CCCCC1SC.
What is the InChIKey of 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol?
The InChIKey is IHSKSVFPRZYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-13(2,10-15)9-14-11-7-5-6-8-12(11)16-3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol?
2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.66, 6 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]methyl]butan-1-ol is sourced from PubChem (CID 115895188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).