3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol

C11H23NO2 — CID 79857214

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1CCCC1(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)6-4-5-9(10)12-7-11(3,14)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyPZZYAJWXJRXYQX-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds4

About 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol

3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol (PubChem CID 79857214) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol
PubChem CID79857214
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1CCCC1(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)6-4-5-9(10)12-7-11(3,14)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyPZZYAJWXJRXYQX-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol (CID 79857214) is 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNC1CCCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is PZZYAJWXJRXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)6-4-5-9(10)12-7-11(3,14)8-13/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol?
3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 79857214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).