(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine

C6H9IN2 — CID 173479224

IUPAC(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine
SMILESC=C(I)C=N/C(N)=C\C
InChIInChI=1S/C6H9IN2/c1-3-6(8)9-4-5(2)7/h3-4H,2,8H2,1H3/b6-3-,9-4?
InChIKeyDGSQWUAXTBIHER-KSVDJYMCSA-N
MW236.06 g/mol
LogP1.83
Rot. Bonds2

About (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine

(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine (PubChem CID 173479224) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine
PubChem CID173479224
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine
SMILESC=C(I)C=N/C(N)=C\C
InChIInChI=1S/C6H9IN2/c1-3-6(8)9-4-5(2)7/h3-4H,2,8H2,1H3/b6-3-,9-4?
InChIKeyDGSQWUAXTBIHER-KSVDJYMCSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine (CID 173479224) is (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine is C=C(I)C=N/C(N)=C\C.
What is the InChIKey of (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine?
The InChIKey is DGSQWUAXTBIHER-KSVDJYMCSA-N. The full InChI is InChI=1S/C6H9IN2/c1-3-6(8)9-4-5(2)7/h3-4H,2,8H2,1H3/b6-3-,9-4?.
What are the key properties of (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine?
(Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine has a molecular weight of 236.06 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-iodoprop-2-enylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 173479224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).