1-pentyl-5-pyrrolidin-3-ylimidazole

C12H21N3 — CID 114716240

IUPAC1-pentyl-5-pyrrolidin-3-ylimidazole
SMILESCCCCCn1cncc1C1CCNC1
InChIInChI=1S/C12H21N3/c1-2-3-4-7-15-10-14-9-12(15)11-5-6-13-8-11/h9-11,13H,2-8H2,1H3
InChIKeyBKXDUTWMFYQEIG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds5

About 1-pentyl-5-pyrrolidin-3-ylimidazole

1-pentyl-5-pyrrolidin-3-ylimidazole (PubChem CID 114716240) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-pentyl-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-pentyl-5-pyrrolidin-3-ylimidazole
PubChem CID114716240
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-pentyl-5-pyrrolidin-3-ylimidazole
SMILESCCCCCn1cncc1C1CCNC1
InChIInChI=1S/C12H21N3/c1-2-3-4-7-15-10-14-9-12(15)11-5-6-13-8-11/h9-11,13H,2-8H2,1H3
InChIKeyBKXDUTWMFYQEIG-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Vuf-5296
CID 10103168
alpha-methylhistamine, (R)-
CID 156615
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
Vuf-5297
CID 10374457
Methimepip
CID 11313837
4-(1H-imidazol-4-yl)piperidine
CID 10678418
(S)-alpha-Methylhistamine
CID 6603865
4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-(7-Methyl-oct-3-ynyl)-1H-imidazole
CID 10012754

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-pentyl-5-pyrrolidin-3-ylimidazole (CID 114716240) is 1-pentyl-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-pentyl-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-pentyl-5-pyrrolidin-3-ylimidazole is CCCCCn1cncc1C1CCNC1.
What is the InChIKey of 1-pentyl-5-pyrrolidin-3-ylimidazole?
The InChIKey is BKXDUTWMFYQEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-4-7-15-10-14-9-12(15)11-5-6-13-8-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-pentyl-5-pyrrolidin-3-ylimidazole?
1-pentyl-5-pyrrolidin-3-ylimidazole has a molecular weight of 207.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).