5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine

C10H15N3 — CID 116641425

IUPAC5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine
SMILESCCn1ccnc1CC#CCCN
InChIInChI=1S/C10H15N3/c1-2-13-9-8-12-10(13)6-4-3-5-7-11/h8-9H,2,5-7,11H2,1H3
InChIKeyFNYXTZILRPTDQF-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.80
Rot. Bonds3

About 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine

5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine (PubChem CID 116641425) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine
PubChem CID116641425
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine
SMILESCCn1ccnc1CC#CCCN
InChIInChI=1S/C10H15N3/c1-2-13-9-8-12-10(13)6-4-3-5-7-11/h8-9H,2,5-7,11H2,1H3
InChIKeyFNYXTZILRPTDQF-UHFFFAOYSA-N
XLogP0.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(1-ethylimidazol-2-yl)but-2-yn-1-amine
CID 114497927
3-[3-(1-ethylimidazol-2-yl)prop-1-ynyl]aniline
CID 79738808
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
CID 106208737
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
CID 106208739
(2-ethylimidazol-1-yl)methanamine
CID 122501271
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine?
The IUPAC name of 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine (CID 116641425) is 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine.
What is the SMILES notation for 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine?
The canonical SMILES for 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine is CCn1ccnc1CC#CCCN.
What is the InChIKey of 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine?
The InChIKey is FNYXTZILRPTDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-13-9-8-12-10(13)6-4-3-5-7-11/h8-9H,2,5-7,11H2,1H3.
What are the key properties of 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine?
5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine is sourced from PubChem (CID 116641425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).