N-iodo-N-methyl-1-(oxiran-2-yl)methanamine

C4H8INO — CID 118696490

IUPACN-iodo-N-methyl-1-(oxiran-2-yl)methanamine
SMILESCN(I)CC1CO1
InChIInChI=1S/C4H8INO/c1-6(5)2-4-3-7-4/h4H,2-3H2,1H3
InChIKeyNVFVZVRJCWSOSW-UHFFFAOYSA-N
MW213.02 g/mol
LogP0.67
Rot. Bonds2

About N-iodo-N-methyl-1-(oxiran-2-yl)methanamine

N-iodo-N-methyl-1-(oxiran-2-yl)methanamine (PubChem CID 118696490) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is N-iodo-N-methyl-1-(oxiran-2-yl)methanamine.

Molecular Properties

Compound NameN-iodo-N-methyl-1-(oxiran-2-yl)methanamine
PubChem CID118696490
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC NameN-iodo-N-methyl-1-(oxiran-2-yl)methanamine
SMILESCN(I)CC1CO1
InChIInChI=1S/C4H8INO/c1-6(5)2-4-3-7-4/h4H,2-3H2,1H3
InChIKeyNVFVZVRJCWSOSW-UHFFFAOYSA-N
XLogP0.67
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
methyl(oxiran-2-ylmethyl)carbamic acid
CID 87093362
N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine
CID 63865680
2-(bromomethyl)oxirane;N,N-dimethylmethanamine
CID 87110477
N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 38989172
N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
CID 158488239
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
CID 88561172
N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
CID 141262058

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-1-(oxiran-2-yl)methanamine?
The IUPAC name of N-iodo-N-methyl-1-(oxiran-2-yl)methanamine (CID 118696490) is N-iodo-N-methyl-1-(oxiran-2-yl)methanamine.
What is the SMILES notation for N-iodo-N-methyl-1-(oxiran-2-yl)methanamine?
The canonical SMILES for N-iodo-N-methyl-1-(oxiran-2-yl)methanamine is CN(I)CC1CO1.
What is the InChIKey of N-iodo-N-methyl-1-(oxiran-2-yl)methanamine?
The InChIKey is NVFVZVRJCWSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO/c1-6(5)2-4-3-7-4/h4H,2-3H2,1H3.
What are the key properties of N-iodo-N-methyl-1-(oxiran-2-yl)methanamine?
N-iodo-N-methyl-1-(oxiran-2-yl)methanamine has a molecular weight of 213.02 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-1-(oxiran-2-yl)methanamine is sourced from PubChem (CID 118696490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).