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

C11H24N2O — CID 115134039

IUPAC3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
SMILESCN1CCC(N(C)C(C)(C)CCO)C1
InChIInChI=1S/C11H24N2O/c1-11(2,6-8-14)13(4)10-5-7-12(3)9-10/h10,14H,5-9H2,1-4H3
InChIKeyXTEADIFRWRYUNU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds4

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

3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol (PubChem CID 115134039) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
PubChem CID115134039
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
SMILESCN1CCC(N(C)C(C)(C)CCO)C1
InChIInChI=1S/C11H24N2O/c1-11(2,6-8-14)13(4)10-5-7-12(3)9-10/h10,14H,5-9H2,1-4H3
InChIKeyXTEADIFRWRYUNU-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
CID 115134356
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801
3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
CID 116841111
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol (CID 115134039) is 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol is CN1CCC(N(C)C(C)(C)CCO)C1.
What is the InChIKey of 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol?
The InChIKey is XTEADIFRWRYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,6-8-14)13(4)10-5-7-12(3)9-10/h10,14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol?
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol is sourced from PubChem (CID 115134039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).