(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine

C13H19N3O — CID 114722429

IUPAC(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1C1CC=CC1)C1CCOC1
InChIInChI=1S/C13H19N3O/c14-13(10-5-6-17-8-10)12-7-15-9-16(12)11-3-1-2-4-11/h1-2,7,9-11,13H,3-6,8,14H2
InChIKeyFAOJQGAHMWIZRT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds3

About (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine

(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine (PubChem CID 114722429) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
PubChem CID114722429
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1C1CC=CC1)C1CCOC1
InChIInChI=1S/C13H19N3O/c14-13(10-5-6-17-8-10)12-7-15-9-16(12)11-3-1-2-4-11/h1-2,7,9-11,13H,3-6,8,14H2
InChIKeyFAOJQGAHMWIZRT-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718920
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine
CID 104943429

Frequently Asked Questions

What is the IUPAC name of (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine (CID 114722429) is (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine is NC(c1cncn1C1CC=CC1)C1CCOC1.
What is the InChIKey of (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The InChIKey is FAOJQGAHMWIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(10-5-6-17-8-10)12-7-15-9-16(12)11-3-1-2-4-11/h1-2,7,9-11,13H,3-6,8,14H2.
What are the key properties of (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine?
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114722429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).