3-ethyl-4-methyl-1-propan-2-ylpyrrolidine

C10H21N — CID 59526800

IUPAC3-ethyl-4-methyl-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1C
InChIInChI=1S/C10H21N/c1-5-10-7-11(8(2)3)6-9(10)4/h8-10H,5-7H2,1-4H3
InChIKeyBRYXVIWYXLPWNL-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds2

About 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine

3-ethyl-4-methyl-1-propan-2-ylpyrrolidine (PubChem CID 59526800) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-propan-2-ylpyrrolidine
PubChem CID59526800
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-ethyl-4-methyl-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1C
InChIInChI=1S/C10H21N/c1-5-10-7-11(8(2)3)6-9(10)4/h8-10H,5-7H2,1-4H3
InChIKeyBRYXVIWYXLPWNL-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12239629
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CID 18722953
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CID 22033887
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CID 45087897
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CID 57617591
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CID 57834780
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CID 72457033
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine (CID 59526800) is 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine is CCC1CN(C(C)C)CC1C.
What is the InChIKey of 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is BRYXVIWYXLPWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-10-7-11(8(2)3)6-9(10)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine?
3-ethyl-4-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 59526800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).