6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine

C11H17N3 — CID 106208737

IUPAC6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
SMILESCCn1ccnc1C#CCCCCN
InChIInChI=1S/C11H17N3/c1-2-14-10-9-13-11(14)7-5-3-4-6-8-12/h9-10H,2-4,6,8,12H2,1H3
InChIKeyHHSWIAHHAPDQSF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.38
Rot. Bonds4

About 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine

6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine (PubChem CID 106208737) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
PubChem CID106208737
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
SMILESCCn1ccnc1C#CCCCCN
InChIInChI=1S/C11H17N3/c1-2-14-10-9-13-11(14)7-5-3-4-6-8-12/h9-10H,2-4,6,8,12H2,1H3
InChIKeyHHSWIAHHAPDQSF-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
CID 106208739
2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide
CID 114777699
4-(1-propylimidazol-2-yl)but-3-yn-1-ol
CID 63974123
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine
CID 116641425
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
3-(2-methoxyimidazol-1-yl)propan-1-amine
CID 82416306
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142615

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine?
The IUPAC name of 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine (CID 106208737) is 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine?
The canonical SMILES for 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine is CCn1ccnc1C#CCCCCN.
What is the InChIKey of 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine?
The InChIKey is HHSWIAHHAPDQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-10-9-13-11(14)7-5-3-4-6-8-12/h9-10H,2-4,6,8,12H2,1H3.
What are the key properties of 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine?
6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine is sourced from PubChem (CID 106208737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).