2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol

C10H21NO — CID 10057969

IUPAC2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
SMILESCC(CO)CCN1CCC(C)C1
InChIInChI=1S/C10H21NO/c1-9-3-5-11(7-9)6-4-10(2)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyXJHIJJSZHLLTSE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol

2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol (PubChem CID 10057969) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
PubChem CID10057969
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
SMILESCC(CO)CCN1CCC(C)C1
InChIInChI=1S/C10H21NO/c1-9-3-5-11(7-9)6-4-10(2)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyXJHIJJSZHLLTSE-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol?
The IUPAC name of 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol (CID 10057969) is 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol?
The canonical SMILES for 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol is CC(CO)CCN1CCC(C)C1.
What is the InChIKey of 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol?
The InChIKey is XJHIJJSZHLLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-3-5-11(7-9)6-4-10(2)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol?
2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol is sourced from PubChem (CID 10057969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).