1-iodoprop-2-ene-1,2-diamine

C3H7IN2 — CID 126580837

IUPAC1-iodoprop-2-ene-1,2-diamine
SMILESC=C(N)C(N)I
InChIInChI=1S/C3H7IN2/c1-2(5)3(4)6/h3H,1,5-6H2
InChIKeyFKITVBNSMHVTSK-UHFFFAOYSA-N
MW198.01 g/mol
LogP0.18
Rot. Bonds1

About 1-iodoprop-2-ene-1,2-diamine

1-iodoprop-2-ene-1,2-diamine (PubChem CID 126580837) has the molecular formula C3H7IN2 and a molecular weight of 198.01 g/mol. Its IUPAC name is 1-iodoprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-iodoprop-2-ene-1,2-diamine
PubChem CID126580837
Molecular FormulaC3H7IN2
Molecular Weight198.01 g/mol
Exact Mass197.97
IUPAC Name1-iodoprop-2-ene-1,2-diamine
SMILESC=C(N)C(N)I
InChIInChI=1S/C3H7IN2/c1-2(5)3(4)6/h3H,1,5-6H2
InChIKeyFKITVBNSMHVTSK-UHFFFAOYSA-N
XLogP0.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.01
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-2-ene-1,2-diamine?
The IUPAC name of 1-iodoprop-2-ene-1,2-diamine (CID 126580837) is 1-iodoprop-2-ene-1,2-diamine.
What is the SMILES notation for 1-iodoprop-2-ene-1,2-diamine?
The canonical SMILES for 1-iodoprop-2-ene-1,2-diamine is C=C(N)C(N)I.
What is the InChIKey of 1-iodoprop-2-ene-1,2-diamine?
The InChIKey is FKITVBNSMHVTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IN2/c1-2(5)3(4)6/h3H,1,5-6H2.
What are the key properties of 1-iodoprop-2-ene-1,2-diamine?
1-iodoprop-2-ene-1,2-diamine has a molecular weight of 198.01 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-2-ene-1,2-diamine is sourced from PubChem (CID 126580837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).