5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole

C12H21N3 — CID 66130852

IUPAC5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
SMILESCCCn1cncc1C1CCNC1(C)C
InChIInChI=1S/C12H21N3/c1-4-7-15-9-13-8-11(15)10-5-6-14-12(10,2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyGGEMMGKHFMBCEG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds3

About 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole

5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole (PubChem CID 66130852) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
PubChem CID66130852
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
SMILESCCCn1cncc1C1CCNC1(C)C
InChIInChI=1S/C12H21N3/c1-4-7-15-9-13-8-11(15)10-5-6-14-12(10,2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyGGEMMGKHFMBCEG-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
CID 66131789
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
CID 66234913
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
2-methyl-N-[[2-(3-propylimidazol-4-yl)cyclopropyl]methyl]propan-1-amine
CID 66132443
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 66131370
3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
CID 79320574
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[(3-propylimidazol-4-yl)methoxy]piperidine
CID 106937644

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole (CID 66130852) is 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole is CCCn1cncc1C1CCNC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole?
The InChIKey is GGEMMGKHFMBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-7-15-9-13-8-11(15)10-5-6-14-12(10,2)3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole?
5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole has a molecular weight of 207.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole is sourced from PubChem (CID 66130852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).