1,2-dimethyl-5-propylpyrrolidine

C9H19N — CID 91482901

IUPAC1,2-dimethyl-5-propylpyrrolidine
SMILESCCCC1CCC(C)N1C
InChIInChI=1S/C9H19N/c1-4-5-9-7-6-8(2)10(9)3/h8-9H,4-7H2,1-3H3
InChIKeyPVULRTCQDGALRA-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds2

About 1,2-dimethyl-5-propylpyrrolidine

1,2-dimethyl-5-propylpyrrolidine (PubChem CID 91482901) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,2-dimethyl-5-propylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-5-propylpyrrolidine
PubChem CID91482901
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,2-dimethyl-5-propylpyrrolidine
SMILESCCCC1CCC(C)N1C
InChIInChI=1S/C9H19N/c1-4-5-9-7-6-8(2)10(9)3/h8-9H,4-7H2,1-3H3
InChIKeyPVULRTCQDGALRA-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-propylpyrrolidine?
The IUPAC name of 1,2-dimethyl-5-propylpyrrolidine (CID 91482901) is 1,2-dimethyl-5-propylpyrrolidine.
What is the SMILES notation for 1,2-dimethyl-5-propylpyrrolidine?
The canonical SMILES for 1,2-dimethyl-5-propylpyrrolidine is CCCC1CCC(C)N1C.
What is the InChIKey of 1,2-dimethyl-5-propylpyrrolidine?
The InChIKey is PVULRTCQDGALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-9-7-6-8(2)10(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-propylpyrrolidine?
1,2-dimethyl-5-propylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propylpyrrolidine is sourced from PubChem (CID 91482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).