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

C16H23N5 — CID 141424864

IUPACN-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
SMILESCCNC1CC=C(c2cncn2CCCn2ccnc2)C1
InChIInChI=1S/C16H23N5/c1-2-19-15-5-4-14(10-15)16-11-18-13-21(16)8-3-7-20-9-6-17-12-20/h4,6,9,11-13,15,19H,2-3,5,7-8,10H2,1H3
InChIKeyLETYFYFTCDQEOZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.33
Rot. Bonds7

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

N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine (PubChem CID 141424864) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
PubChem CID141424864
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
SMILESCCNC1CC=C(c2cncn2CCCn2ccnc2)C1
InChIInChI=1S/C16H23N5/c1-2-19-15-5-4-14(10-15)16-11-18-13-21(16)8-3-7-20-9-6-17-12-20/h4,6,9,11-13,15,19H,2-3,5,7-8,10H2,1H3
InChIKeyLETYFYFTCDQEOZ-UHFFFAOYSA-N
XLogP2.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
CID 121317661
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738316
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid
CID 121317706
N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214118
2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
CID 114704857
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 61493166
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
CID 79098674
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The IUPAC name of N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine (CID 141424864) is N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The canonical SMILES for N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine is CCNC1CC=C(c2cncn2CCCn2ccnc2)C1.
What is the InChIKey of N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
The InChIKey is LETYFYFTCDQEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-19-15-5-4-14(10-15)16-11-18-13-21(16)8-3-7-20-9-6-17-12-20/h4,6,9,11-13,15,19H,2-3,5,7-8,10H2,1H3.
What are the key properties of N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine?
N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine is sourced from PubChem (CID 141424864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).