4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

C13H28N2O — CID 64792084

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-11(9-13(4,10-16)14-5)15-8-6-7-12(15,2)3/h11,14,16H,6-10H2,1-5H3
InChIKeySDIAWKXAHQLEFB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

About 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64792084) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64792084
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-11(9-13(4,10-16)14-5)15-8-6-7-12(15,2)3/h11,14,16H,6-10H2,1-5H3
InChIKeySDIAWKXAHQLEFB-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64792084) is 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)N1CCCC1(C)C.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is SDIAWKXAHQLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(9-13(4,10-16)14-5)15-8-6-7-12(15,2)3/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64792084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).