4-aminoiodanuidylpent-2-yne

C5H9IN- — CID 163573358

IUPAC4-aminoiodanuidylpent-2-yne
SMILESCC#CC(C)[I-]N
InChIInChI=1S/C5H9IN/c1-3-4-5(2)6-7/h5H,7H2,1-2H3/q-1
InChIKeyOOLUMQIGOJNUKH-UHFFFAOYSA-N
MW210.04 g/mol
LogP-2.64
Rot. Bonds1

About 4-aminoiodanuidylpent-2-yne

4-aminoiodanuidylpent-2-yne (PubChem CID 163573358) has the molecular formula C5H9IN- and a molecular weight of 210.04 g/mol. Its IUPAC name is 4-aminoiodanuidylpent-2-yne.

Molecular Properties

Compound Name4-aminoiodanuidylpent-2-yne
PubChem CID163573358
Molecular FormulaC5H9IN-
Molecular Weight210.04 g/mol
Exact Mass209.98
IUPAC Name4-aminoiodanuidylpent-2-yne
SMILESCC#CC(C)[I-]N
InChIInChI=1S/C5H9IN/c1-3-4-5(2)6-7/h5H,7H2,1-2H3/q-1
InChIKeyOOLUMQIGOJNUKH-UHFFFAOYSA-N
XLogP-2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 5-2.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpent-3-yn-1-ol
CID 21426352
(3R,4R)-2,4-dimethylhept-5-yn-3-ol
CID 10986317
(4R)-6-methylhept-2-yn-4-amine
CID 170370923
4,5,5-trimethylhex-2-yne
CID 529280
4,5,6-trimethylhept-2-yne
CID 123613876
(2R,3R)-3-trimethylsilylhex-4-yn-2-amine
CID 131168914
but-2-yne-1,1-diol;ethanol
CID 174725417
but-2-yne;ethane;2-methylpropane
CID 144864902
CID 175916855
CID 175916855
(2R,3S,4S)-3-methoxy-2,4-dimethylhept-5-yn-1-ol
CID 134974746
3-methoxy-2,4-dimethylhept-5-yn-1-ol
CID 74323439
methyl (2S,3R)-2-hydroxy-3-methylhex-4-ynoate
CID 131207362

Frequently Asked Questions

What is the IUPAC name of 4-aminoiodanuidylpent-2-yne?
The IUPAC name of 4-aminoiodanuidylpent-2-yne (CID 163573358) is 4-aminoiodanuidylpent-2-yne.
What is the SMILES notation for 4-aminoiodanuidylpent-2-yne?
The canonical SMILES for 4-aminoiodanuidylpent-2-yne is CC#CC(C)[I-]N.
What is the InChIKey of 4-aminoiodanuidylpent-2-yne?
The InChIKey is OOLUMQIGOJNUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN/c1-3-4-5(2)6-7/h5H,7H2,1-2H3/q-1.
What are the key properties of 4-aminoiodanuidylpent-2-yne?
4-aminoiodanuidylpent-2-yne has a molecular weight of 210.04 g/mol, XLogP of -2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoiodanuidylpent-2-yne is sourced from PubChem (CID 163573358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).