1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine

C5H12I2N2 — CID 175405090

IUPAC1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
SMILESCCC(N(C)C)N(I)I
InChIInChI=1S/C5H12I2N2/c1-4-5(8(2)3)9(6)7/h5H,4H2,1-3H3
InChIKeyAOFIXQMQOVTJLS-UHFFFAOYSA-N
MW353.97 g/mol
LogP2.29
Rot. Bonds3

About 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine

1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine (PubChem CID 175405090) has the molecular formula C5H12I2N2 and a molecular weight of 353.97 g/mol. Its IUPAC name is 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
PubChem CID175405090
Molecular FormulaC5H12I2N2
Molecular Weight353.97 g/mol
Exact Mass353.91
IUPAC Name1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
SMILESCCC(N(C)C)N(I)I
InChIInChI=1S/C5H12I2N2/c1-4-5(8(2)3)9(6)7/h5H,4H2,1-3H3
InChIKeyAOFIXQMQOVTJLS-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.97
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
CID 23505022
1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
CID 87407012
2-[1-(dimethylamino)propyl-methylamino]acetonitrile
CID 141002241
3-[bis[1-(dimethylamino)propyl]amino]propane-1,2-diol
CID 23106300
ethyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 88748981
2,2-bis(dimethylamino)ethanol
CID 57031094
2-chloro-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 157189725
1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine
CID 87407366
1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
CID 175965155
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine?
The IUPAC name of 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine (CID 175405090) is 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine is CCC(N(C)C)N(I)I.
What is the InChIKey of 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine?
The InChIKey is AOFIXQMQOVTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12I2N2/c1-4-5(8(2)3)9(6)7/h5H,4H2,1-3H3.
What are the key properties of 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine?
1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine has a molecular weight of 353.97 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine is sourced from PubChem (CID 175405090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).