1,1-diiodo-3,3-dimethylbutane-1,4-diamine

C6H14I2N2 — CID 88513715

IUPAC1,1-diiodo-3,3-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CC(N)(I)I
InChIInChI=1S/C6H14I2N2/c1-5(2,4-9)3-6(7,8)10/h3-4,9-10H2,1-2H3
InChIKeyWZVYPBZKMPBEHD-UHFFFAOYSA-N
MW368.00 g/mol
LogP1.84
Rot. Bonds3

About 1,1-diiodo-3,3-dimethylbutane-1,4-diamine

1,1-diiodo-3,3-dimethylbutane-1,4-diamine (PubChem CID 88513715) has the molecular formula C6H14I2N2 and a molecular weight of 368.00 g/mol. Its IUPAC name is 1,1-diiodo-3,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1,1-diiodo-3,3-dimethylbutane-1,4-diamine
PubChem CID88513715
Molecular FormulaC6H14I2N2
Molecular Weight368.00 g/mol
Exact Mass367.92
IUPAC Name1,1-diiodo-3,3-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CC(N)(I)I
InChIInChI=1S/C6H14I2N2/c1-5(2,4-9)3-6(7,8)10/h3-4,9-10H2,1-2H3
InChIKeyWZVYPBZKMPBEHD-UHFFFAOYSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.00
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2,2-dimethylpropane-1,3-diamine
CID 162099967
2,2,4-trimethylheptane-1,4-diamine
CID 175307929
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444
6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
CID 144805334
6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
CID 155130615
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
CID 23346633
2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 87393297
3-hydrazinyl-2,2-dimethylpropan-1-amine
CID 163833344
2-methylpropane-1,2-diamine;zinc;hydrochloride
CID 175571539
4,5-diamino-2,2,4-trimethylpentan-1-ol
CID 57016667

Frequently Asked Questions

What is the IUPAC name of 1,1-diiodo-3,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1,1-diiodo-3,3-dimethylbutane-1,4-diamine (CID 88513715) is 1,1-diiodo-3,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1,1-diiodo-3,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1,1-diiodo-3,3-dimethylbutane-1,4-diamine is CC(C)(CN)CC(N)(I)I.
What is the InChIKey of 1,1-diiodo-3,3-dimethylbutane-1,4-diamine?
The InChIKey is WZVYPBZKMPBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14I2N2/c1-5(2,4-9)3-6(7,8)10/h3-4,9-10H2,1-2H3.
What are the key properties of 1,1-diiodo-3,3-dimethylbutane-1,4-diamine?
1,1-diiodo-3,3-dimethylbutane-1,4-diamine has a molecular weight of 368.00 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodo-3,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 88513715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).