1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C13H27NO2 — CID 65121159

IUPAC1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)(O)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO2/c1-11(2)5-7-13(16,8-6-11)10-14-9-12(3,4)15/h14-16H,5-10H2,1-4H3
InChIKeyWLKCMHIQEBTVTI-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds4

About 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65121159) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65121159
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)(O)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO2/c1-11(2)5-7-13(16,8-6-11)10-14-9-12(3,4)15/h14-16H,5-10H2,1-4H3
InChIKeyWLKCMHIQEBTVTI-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65121159) is 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC(C)(O)CNCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is WLKCMHIQEBTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)5-7-13(16,8-6-11)10-14-9-12(3,4)15/h14-16H,5-10H2,1-4H3.
What are the key properties of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65121159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).