(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine

C5H9IN2 — CID 156522414

IUPAC(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
SMILESC=CN(C)/C=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyHZOKBQOBQZFPGL-PLNGDYQASA-N
MW224.04 g/mol
LogP1.25
Rot. Bonds2

About (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine

(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine (PubChem CID 156522414) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
PubChem CID156522414
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
SMILESC=CN(C)/C=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyHZOKBQOBQZFPGL-PLNGDYQASA-N
XLogP1.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
CID 143349848
1-iodoprop-1-en-1-amine
CID 141312363
1-N'-ethenyl-1-N'-methylethene-1,1-diamine
CID 174001466
(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
CID 155480081
N-ethenyl-N-methylprop-1-en-1-amine
CID 72587772
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(Z)-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 88777001
N,N-dimethylethenamine;hydron
CID 174680801
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
N,N-dimethylethenamine;ethane-1,2-diol
CID 88731218
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The IUPAC name of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine (CID 156522414) is (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The canonical SMILES for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine is C=CN(C)/C=C(\N)I.
What is the InChIKey of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The InChIKey is HZOKBQOBQZFPGL-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-.
What are the key properties of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine has a molecular weight of 224.04 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine is sourced from PubChem (CID 156522414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).