3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine

C14H19N5 — CID 121317661

IUPAC3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
SMILESNC1CC=C(c2cncn2CCCn2ccnc2)C1
InChIInChI=1S/C14H19N5/c15-13-3-2-12(8-13)14-9-17-11-19(14)6-1-5-18-7-4-16-10-18/h2,4,7,9-11,13H,1,3,5-6,8,15H2
InChIKeyGINWXSANCJKUPS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.67
Rot. Bonds5

About 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine

3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine (PubChem CID 121317661) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine.

Molecular Properties

Compound Name3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
PubChem CID121317661
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
SMILESNC1CC=C(c2cncn2CCCn2ccnc2)C1
InChIInChI=1S/C14H19N5/c15-13-3-2-12(8-13)14-9-17-11-19(14)6-1-5-18-7-4-16-10-18/h2,4,7,9-11,13H,1,3,5-6,8,15H2
InChIKeyGINWXSANCJKUPS-UHFFFAOYSA-N
XLogP1.67
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
CID 141424864
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
CID 114704857
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
1-(3-imidazol-1-ylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295607
tert-butyl 2-[2-[3-(3-hydroxypropyl)imidazol-4-yl]phenyl]pyrrolidine-1-carboxylate;3-imidazol-1-ylpropan-1-ol;methane
CID 159447617
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The IUPAC name of 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine (CID 121317661) is 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine.
What is the SMILES notation for 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The canonical SMILES for 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine is NC1CC=C(c2cncn2CCCn2ccnc2)C1.
What is the InChIKey of 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The InChIKey is GINWXSANCJKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-13-3-2-12(8-13)14-9-17-11-19(14)6-1-5-18-7-4-16-10-18/h2,4,7,9-11,13H,1,3,5-6,8,15H2.
What are the key properties of 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine is sourced from PubChem (CID 121317661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).