2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol

C11H24N2O — CID 65337885

IUPAC2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
SMILESCC(NCC1CCN(C)C1)C(C)(C)O
InChIInChI=1S/C11H24N2O/c1-9(11(2,3)14)12-7-10-5-6-13(4)8-10/h9-10,12,14H,5-8H2,1-4H3
InChIKeyWFBZQFXKVYZRBK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds4

About 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol

2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol (PubChem CID 65337885) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
PubChem CID65337885
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
SMILESCC(NCC1CCN(C)C1)C(C)(C)O
InChIInChI=1S/C11H24N2O/c1-9(11(2,3)14)12-7-10-5-6-13(4)8-10/h9-10,12,14H,5-8H2,1-4H3
InChIKeyWFBZQFXKVYZRBK-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-2-methylbutan-2-ol
CID 138006399
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
2-[(1-methylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 60855261
2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111002027
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol (CID 65337885) is 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol is CC(NCC1CCN(C)C1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol?
The InChIKey is WFBZQFXKVYZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(11(2,3)14)12-7-10-5-6-13(4)8-10/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol?
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 65337885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).