1,3-dimethylpyrrolidine;propan-2-ol

C9H21NO — CID 166075610

IUPAC1,3-dimethylpyrrolidine;propan-2-ol
SMILESCC(C)O.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3(2)4/h6H,3-5H2,1-2H3;3-4H,1-2H3
InChIKeyDLRNUBHWYRJOME-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds

About 1,3-dimethylpyrrolidine;propan-2-ol

1,3-dimethylpyrrolidine;propan-2-ol (PubChem CID 166075610) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;propan-2-ol.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;propan-2-ol
PubChem CID166075610
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1,3-dimethylpyrrolidine;propan-2-ol
SMILESCC(C)O.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3(2)4/h6H,3-5H2,1-2H3;3-4H,1-2H3
InChIKeyDLRNUBHWYRJOME-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-dimethylpyrrolidine
CID 58412242
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
(3R)-1,3-dimethylpyrrolidine;methoxyethane
CID 168995802
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine;propan-2-ol?
The IUPAC name of 1,3-dimethylpyrrolidine;propan-2-ol (CID 166075610) is 1,3-dimethylpyrrolidine;propan-2-ol.
What is the SMILES notation for 1,3-dimethylpyrrolidine;propan-2-ol?
The canonical SMILES for 1,3-dimethylpyrrolidine;propan-2-ol is CC(C)O.CC1CCN(C)C1.
What is the InChIKey of 1,3-dimethylpyrrolidine;propan-2-ol?
The InChIKey is DLRNUBHWYRJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3(2)4/h6H,3-5H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrrolidine;propan-2-ol?
1,3-dimethylpyrrolidine;propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;propan-2-ol is sourced from PubChem (CID 166075610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).