N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine

C7H13I2N — CID 163682253

IUPACN-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CI)CCI
InChIInChI=1S/C7H13I2N/c1-7(2)5-10(6-9)4-3-8/h1,3-6H2,2H3
InChIKeyJLUPSHWVEUQBGA-UHFFFAOYSA-N
MW365.00 g/mol
LogP2.69
Rot. Bonds5

About N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine

N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine (PubChem CID 163682253) has the molecular formula C7H13I2N and a molecular weight of 365.00 g/mol. Its IUPAC name is N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine
PubChem CID163682253
Molecular FormulaC7H13I2N
Molecular Weight365.00 g/mol
Exact Mass364.91
IUPAC NameN-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CI)CCI
InChIInChI=1S/C7H13I2N/c1-7(2)5-10(6-9)4-3-8/h1,3-6H2,2H3
InChIKeyJLUPSHWVEUQBGA-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.00
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[2-hydroxyethyl(2-iodoethyl)amino]ethanol
CID 57225971
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
CID 154938731
N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
CID 28599551
1-[2-iodoethyl(methyl)amino]ethenethiol
CID 118013399
N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 130666079
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 116679302

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine (CID 163682253) is N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine is C=C(C)CN(CI)CCI.
What is the InChIKey of N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine?
The InChIKey is JLUPSHWVEUQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I2N/c1-7(2)5-10(6-9)4-3-8/h1,3-6H2,2H3.
What are the key properties of N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine?
N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine has a molecular weight of 365.00 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 163682253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).