2-ethyl-N-iodopent-3-yn-1-amine

C7H12IN — CID 141086780

IUPAC2-ethyl-N-iodopent-3-yn-1-amine
SMILESCC#CC(CC)CNI
InChIInChI=1S/C7H12IN/c1-3-5-7(4-2)6-9-8/h7,9H,4,6H2,1-2H3
InChIKeyGYLDEDYDJHHBIG-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.98
Rot. Bonds3

About 2-ethyl-N-iodopent-3-yn-1-amine

2-ethyl-N-iodopent-3-yn-1-amine (PubChem CID 141086780) has the molecular formula C7H12IN and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-ethyl-N-iodopent-3-yn-1-amine.

Molecular Properties

Compound Name2-ethyl-N-iodopent-3-yn-1-amine
PubChem CID141086780
Molecular FormulaC7H12IN
Molecular Weight237.08 g/mol
Exact Mass237.00
IUPAC Name2-ethyl-N-iodopent-3-yn-1-amine
SMILESCC#CC(CC)CNI
InChIInChI=1S/C7H12IN/c1-3-5-7(4-2)6-9-8/h7,9H,4,6H2,1-2H3
InChIKeyGYLDEDYDJHHBIG-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-iodopent-3-yn-1-amine?
The IUPAC name of 2-ethyl-N-iodopent-3-yn-1-amine (CID 141086780) is 2-ethyl-N-iodopent-3-yn-1-amine.
What is the SMILES notation for 2-ethyl-N-iodopent-3-yn-1-amine?
The canonical SMILES for 2-ethyl-N-iodopent-3-yn-1-amine is CC#CC(CC)CNI.
What is the InChIKey of 2-ethyl-N-iodopent-3-yn-1-amine?
The InChIKey is GYLDEDYDJHHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN/c1-3-5-7(4-2)6-9-8/h7,9H,4,6H2,1-2H3.
What are the key properties of 2-ethyl-N-iodopent-3-yn-1-amine?
2-ethyl-N-iodopent-3-yn-1-amine has a molecular weight of 237.08 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-iodopent-3-yn-1-amine is sourced from PubChem (CID 141086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).