N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine

C5H12I2N2 — CID 155240108

IUPACN,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
SMILESCN(I)CCCN(C)I
InChIInChI=1S/C5H12I2N2/c1-8(6)4-3-5-9(2)7/h3-5H2,1-2H3
InChIKeyJCJFVDCSMCWGET-UHFFFAOYSA-N
MW353.97 g/mol
LogP1.94
Rot. Bonds4

About N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine

N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine (PubChem CID 155240108) has the molecular formula C5H12I2N2 and a molecular weight of 353.97 g/mol. Its IUPAC name is N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
PubChem CID155240108
Molecular FormulaC5H12I2N2
Molecular Weight353.97 g/mol
Exact Mass353.91
IUPAC NameN,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
SMILESCN(I)CCCN(C)I
InChIInChI=1S/C5H12I2N2/c1-8(6)4-3-5-9(2)7/h3-5H2,1-2H3
InChIKeyJCJFVDCSMCWGET-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.97
LogP ≤ 51.94
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'}

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Related Compounds

N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
N-iodo-N-methyloct-7-en-1-amine
CID 170105765
4-butyl-N-iodo-N-methyloctan-1-amine
CID 163694907
(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol
CID 139437964
6-[iodo(methyl)amino]-3-methylhexan-2-one
CID 163874917
N-iodo-N-methyl-2-methylsulfonylethanamine
CID 130371768
N,N'-diiodo-N,N'-bis(phosphanyl)propane-1,3-diamine
CID 166766113
N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine
CID 155215278
N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine
CID 145464641
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-[2-[bis[2-[bis[2-(dimethylamino)ethyl]amino]ethyl]amino]ethyl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N,N,N',N'-tetrakis[2-(dimethylamino)ethyl]propane-1,3-diamine
CID 160549747
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219

Frequently Asked Questions

What is the IUPAC name of N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine (CID 155240108) is N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine is CN(I)CCCN(C)I.
What is the InChIKey of N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is JCJFVDCSMCWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12I2N2/c1-8(6)4-3-5-9(2)7/h3-5H2,1-2H3.
What are the key properties of N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine?
N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 353.97 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 155240108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).