5-(azetidin-3-yl)-1-pentylimidazole

C11H19N3 — CID 114716245

IUPAC5-(azetidin-3-yl)-1-pentylimidazole
SMILESCCCCCn1cncc1C1CNC1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-14-9-13-8-11(14)10-6-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyNFCFSNVKIWYVTM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds5

About 5-(azetidin-3-yl)-1-pentylimidazole

5-(azetidin-3-yl)-1-pentylimidazole (PubChem CID 114716245) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-pentylimidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-pentylimidazole
PubChem CID114716245
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(azetidin-3-yl)-1-pentylimidazole
SMILESCCCCCn1cncc1C1CNC1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-14-9-13-8-11(14)10-6-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyNFCFSNVKIWYVTM-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
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
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
3-Methylhistamine
CID 69520
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544
1-Methylhistamine dihydrochloride
CID 11957601
(1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 10374533
N-ethylhistamine
CID 44292270
alpha,beta-Dimethylhistamine
CID 195530
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-pentylimidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-pentylimidazole (CID 114716245) is 5-(azetidin-3-yl)-1-pentylimidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-pentylimidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-pentylimidazole is CCCCCn1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-pentylimidazole?
The InChIKey is NFCFSNVKIWYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-14-9-13-8-11(14)10-6-12-7-10/h8-10,12H,2-7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-pentylimidazole?
5-(azetidin-3-yl)-1-pentylimidazole has a molecular weight of 193.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-pentylimidazole is sourced from PubChem (CID 114716245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).