1-methyl-3-propylpyrrolidine

C8H17N — CID 18722953

IUPAC1-methyl-3-propylpyrrolidine
SMILESCCCC1CCN(C)C1
InChIInChI=1S/C8H17N/c1-3-4-8-5-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeySQYCAEUTCTZVSG-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds2

About 1-methyl-3-propylpyrrolidine

1-methyl-3-propylpyrrolidine (PubChem CID 18722953) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1-methyl-3-propylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-propylpyrrolidine
PubChem CID18722953
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1-methyl-3-propylpyrrolidine
SMILESCCCC1CCN(C)C1
InChIInChI=1S/C8H17N/c1-3-4-8-5-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeySQYCAEUTCTZVSG-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpyrrolidine?
The IUPAC name of 1-methyl-3-propylpyrrolidine (CID 18722953) is 1-methyl-3-propylpyrrolidine.
What is the SMILES notation for 1-methyl-3-propylpyrrolidine?
The canonical SMILES for 1-methyl-3-propylpyrrolidine is CCCC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-propylpyrrolidine?
The InChIKey is SQYCAEUTCTZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-4-8-5-6-9(2)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-propylpyrrolidine?
1-methyl-3-propylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrrolidine is sourced from PubChem (CID 18722953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).