(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine

C11H17N3 — CID 106212066

IUPAC(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
SMILESC#CCCCCn1cncc1[C@H](C)N
InChIInChI=1S/C11H17N3/c1-3-4-5-6-7-14-9-13-8-11(14)10(2)12/h1,8-10H,4-7,12H2,2H3/t10-/m0/s1
InChIKeyMULWULHDIRIJBC-JTQLQIEISA-N
MW191.28 g/mol
LogP1.71
Rot. Bonds5

About (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine

(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine (PubChem CID 106212066) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
PubChem CID106212066
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
SMILESC#CCCCCn1cncc1[C@H](C)N
InChIInChI=1S/C11H17N3/c1-3-4-5-6-7-14-9-13-8-11(14)10(2)12/h1,8-10H,4-7,12H2,2H3/t10-/m0/s1
InChIKeyMULWULHDIRIJBC-JTQLQIEISA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.71
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 (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine (CID 106212066) is (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine is C#CCCCCn1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine?
The InChIKey is MULWULHDIRIJBC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c1-3-4-5-6-7-14-9-13-8-11(14)10(2)12/h1,8-10H,4-7,12H2,2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine?
(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine is sourced from PubChem (CID 106212066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).