N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide

C5H9IN2 — CID 118265366

IUPACN-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide
SMILESCN/C=C(C)\N=C\I
InChIInChI=1S/C5H9IN2/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3/b5-3-,8-4+
InChIKeyHZPCYTAMUVCMTK-VOGDQUTBSA-N
MW224.05 g/mol
LogP1.53
Rot. Bonds2

About N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide

N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide (PubChem CID 118265366) has the molecular formula C5H9IN2 and a molecular weight of 224.05 g/mol. Its IUPAC name is N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide.

Molecular Properties

Compound NameN-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide
PubChem CID118265366
Molecular FormulaC5H9IN2
Molecular Weight224.05 g/mol
Exact Mass223.98
IUPAC NameN-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide
SMILESCN/C=C(C)\N=C\I
InChIInChI=1S/C5H9IN2/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3/b5-3-,8-4+
InChIKeyHZPCYTAMUVCMTK-VOGDQUTBSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.53
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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Related Compounds

(Z)-3,6-bis(methylamino)-5-(methylideneamino)hex-5-en-2-one
CID 144733150
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
acetamide;bis(N-methylmethanamine)
CID 172694142
2-methyl-1-(methylamino)hept-1-en-3-one
CID 71321613
(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid
CID 146206627
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373
(Z,3E)-3-(methylaminomethylidene)hex-4-en-2-one
CID 174339703
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
N-methylmethanamine
CID 674
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
carbonic acid;N-methylmethanamine
CID 173471204
carbonic acid;N-methylformamide
CID 159780835

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide?
The IUPAC name of N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide (CID 118265366) is N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide.
What is the SMILES notation for N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide?
The canonical SMILES for N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide is CN/C=C(C)\N=C\I.
What is the InChIKey of N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide?
The InChIKey is HZPCYTAMUVCMTK-VOGDQUTBSA-N. The full InChI is InChI=1S/C5H9IN2/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3/b5-3-,8-4+.
What are the key properties of N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide?
N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide has a molecular weight of 224.05 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide is sourced from PubChem (CID 118265366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).