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

C12H19N3 — CID 106208739

IUPAC6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
SMILESCCCn1ccnc1C#CCCCCN
InChIInChI=1S/C12H19N3/c1-2-10-15-11-9-14-12(15)7-5-3-4-6-8-13/h9,11H,2-4,6,8,10,13H2,1H3
InChIKeyLWMPPHFTYQJIDK-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.77
Rot. Bonds5

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

6-(1-propylimidazol-2-yl)hex-5-yn-1-amine (PubChem CID 106208739) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
PubChem CID106208739
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
SMILESCCCn1ccnc1C#CCCCCN
InChIInChI=1S/C12H19N3/c1-2-10-15-11-9-14-12(15)7-5-3-4-6-8-13/h9,11H,2-4,6,8,10,13H2,1H3
InChIKeyLWMPPHFTYQJIDK-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.77
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'}

Analyze 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
CID 106208737
4-(1-propylimidazol-2-yl)but-3-yn-1-ol
CID 63974123
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide
CID 114777699
5-(1-ethylimidazol-2-yl)pent-3-yn-1-amine
CID 116641425
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
3-(2-methoxyimidazol-1-yl)propan-1-amine
CID 82416306
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-chloro-1-propylimidazole
CID 142765750
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
non-6-yn-1-amine
CID 87675821

Frequently Asked Questions

What is the IUPAC name of 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine?
The IUPAC name of 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine (CID 106208739) is 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine?
The canonical SMILES for 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine is CCCn1ccnc1C#CCCCCN.
What is the InChIKey of 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine?
The InChIKey is LWMPPHFTYQJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10-15-11-9-14-12(15)7-5-3-4-6-8-13/h9,11H,2-4,6,8,10,13H2,1H3.
What are the key properties of 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine?
6-(1-propylimidazol-2-yl)hex-5-yn-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylimidazol-2-yl)hex-5-yn-1-amine is sourced from PubChem (CID 106208739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).