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

C11H24N2O — CID 115137561

IUPAC3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
SMILESCC(C)C(CO)NCC1CCN(C)C1
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14)12-6-10-4-5-13(3)7-10/h9-12,14H,4-8H2,1-3H3
InChIKeyXRRJOQMOXJYUGD-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.54
Rot. Bonds5

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

3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol (PubChem CID 115137561) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
PubChem CID115137561
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
SMILESCC(C)C(CO)NCC1CCN(C)C1
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14)12-6-10-4-5-13(3)7-10/h9-12,14H,4-8H2,1-3H3
InChIKeyXRRJOQMOXJYUGD-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.54
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
(2S)-3-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79611765
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol (CID 115137561) is 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol is CC(C)C(CO)NCC1CCN(C)C1.
What is the InChIKey of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol?
The InChIKey is XRRJOQMOXJYUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)11(8-14)12-6-10-4-5-13(3)7-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol?
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115137561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).