4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol

C11H24N2O — CID 114287080

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
SMILESCC1CN(CCCCO)CC1N(C)C
InChIInChI=1S/C11H24N2O/c1-10-8-13(6-4-5-7-14)9-11(10)12(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyWAHWZVNTYVOGGB-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds5

About 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol (PubChem CID 114287080) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
PubChem CID114287080
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
SMILESCC1CN(CCCCO)CC1N(C)C
InChIInChI=1S/C11H24N2O/c1-10-8-13(6-4-5-7-14)9-11(10)12(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyWAHWZVNTYVOGGB-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol (CID 114287080) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol is CC1CN(CCCCO)CC1N(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol?
The InChIKey is WAHWZVNTYVOGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-8-13(6-4-5-7-14)9-11(10)12(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol is sourced from PubChem (CID 114287080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).