2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol

C9H19NO — CID 12032217

IUPAC2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC1CNC(C(O)C(C)C)C1
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3
InChIKeyVTPGFDBBTQRFHK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol

2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 12032217) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID12032217
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC1CNC(C(O)C(C)C)C1
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3
InChIKeyVTPGFDBBTQRFHK-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol (CID 12032217) is 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol is CC1CNC(C(O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is VTPGFDBBTQRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol?
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 12032217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).