N-[(iodoamino)methyl]-N-methylformamide

C3H7IN2O — CID 129289602

IUPACN-[(iodoamino)methyl]-N-methylformamide
SMILESCN(C=O)CNI
InChIInChI=1S/C3H7IN2O/c1-6(3-7)2-5-4/h3,5H,2H2,1H3
InChIKeyCTMWBVDAYGEFRV-UHFFFAOYSA-N
MW214.01 g/mol
LogP-0.03
Rot. Bonds3

About N-[(iodoamino)methyl]-N-methylformamide

N-[(iodoamino)methyl]-N-methylformamide (PubChem CID 129289602) has the molecular formula C3H7IN2O and a molecular weight of 214.01 g/mol. Its IUPAC name is N-[(iodoamino)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(iodoamino)methyl]-N-methylformamide
PubChem CID129289602
Molecular FormulaC3H7IN2O
Molecular Weight214.01 g/mol
Exact Mass213.96
IUPAC NameN-[(iodoamino)methyl]-N-methylformamide
SMILESCN(C=O)CNI
InChIInChI=1S/C3H7IN2O/c1-6(3-7)2-5-4/h3,5H,2H2,1H3
InChIKeyCTMWBVDAYGEFRV-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(iodoamino)methyl]-N-methylformamide?
The IUPAC name of N-[(iodoamino)methyl]-N-methylformamide (CID 129289602) is N-[(iodoamino)methyl]-N-methylformamide.
What is the SMILES notation for N-[(iodoamino)methyl]-N-methylformamide?
The canonical SMILES for N-[(iodoamino)methyl]-N-methylformamide is CN(C=O)CNI.
What is the InChIKey of N-[(iodoamino)methyl]-N-methylformamide?
The InChIKey is CTMWBVDAYGEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IN2O/c1-6(3-7)2-5-4/h3,5H,2H2,1H3.
What are the key properties of N-[(iodoamino)methyl]-N-methylformamide?
N-[(iodoamino)methyl]-N-methylformamide has a molecular weight of 214.01 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(iodoamino)methyl]-N-methylformamide is sourced from PubChem (CID 129289602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).