4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol

C12H25NO — CID 83135393

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CCC(C)N1CCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-5-11-7-6-10(2)13(11)9-8-12(3,4)14/h10-11,14H,5-9H2,1-4H3
InChIKeyKFVFBXLMDDOCIM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol

4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol (PubChem CID 83135393) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
PubChem CID83135393
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CCC(C)N1CCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-5-11-7-6-10(2)13(11)9-8-12(3,4)14/h10-11,14H,5-9H2,1-4H3
InChIKeyKFVFBXLMDDOCIM-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 83221191
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
CID 83218882
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol (CID 83135393) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol is CCC1CCC(C)N1CCC(C)(C)O.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is KFVFBXLMDDOCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11-7-6-10(2)13(11)9-8-12(3,4)14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 83135393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).