5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol

C10H21NO — CID 58530848

IUPAC5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)6-8-5-9(12)7-11(8)4/h8-9,12H,5-7H2,1-4H3
InChIKeyJHICZKFVUULVMM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol

5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol (PubChem CID 58530848) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol
PubChem CID58530848
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)6-8-5-9(12)7-11(8)4/h8-9,12H,5-7H2,1-4H3
InChIKeyJHICZKFVUULVMM-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol (CID 58530848) is 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol is CN1CC(O)CC1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol?
The InChIKey is JHICZKFVUULVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-8-5-9(12)7-11(8)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol?
5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 58530848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).