5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol

C12H26N2O — CID 107886038

IUPAC5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
SMILESCCCC(C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-10(2)14-9-12(15)7-11(14)8-13(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAIUGIJVJOHQFNC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol (PubChem CID 107886038) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
PubChem CID107886038
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
SMILESCCCC(C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-10(2)14-9-12(15)7-11(14)8-13(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAIUGIJVJOHQFNC-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol (CID 107886038) is 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol is CCCC(C)N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol?
The InChIKey is AIUGIJVJOHQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-10(2)14-9-12(15)7-11(14)8-13(3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 107886038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).