2-iodo-3-methylbutane-2,3-diamine

C5H13IN2 — CID 163792555

IUPAC2-iodo-3-methylbutane-2,3-diamine
SMILESCC(C)(N)C(C)(N)I
InChIInChI=1S/C5H13IN2/c1-4(2,7)5(3,6)8/h7-8H2,1-3H3
InChIKeyMYBAFEMCRJMUJZ-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.83
Rot. Bonds1

About 2-iodo-3-methylbutane-2,3-diamine

2-iodo-3-methylbutane-2,3-diamine (PubChem CID 163792555) has the molecular formula C5H13IN2 and a molecular weight of 228.08 g/mol. Its IUPAC name is 2-iodo-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name2-iodo-3-methylbutane-2,3-diamine
PubChem CID163792555
Molecular FormulaC5H13IN2
Molecular Weight228.08 g/mol
Exact Mass228.01
IUPAC Name2-iodo-3-methylbutane-2,3-diamine
SMILESCC(C)(N)C(C)(N)I
InChIInChI=1S/C5H13IN2/c1-4(2,7)5(3,6)8/h7-8H2,1-3H3
InChIKeyMYBAFEMCRJMUJZ-UHFFFAOYSA-N
XLogP0.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.83
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

alumane;1-amino-1-iodoethanol
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tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
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bis(2-methylpropan-2-amine);dihydrochloride
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ethane;2-methylpropan-2-amine
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2-iodopentan-2-amine
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1-silylethane-1,1-diamine
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2,2-diiodo-3,3-dimethylbutane
CID 119097693
1,1-dichloro-1-iodoethane
CID 23510619
magnesium;2-methylpropan-2-amine;dibromide
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propane-1,1,1,2,2-pentamine
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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methylbutane-2,3-diamine?
The IUPAC name of 2-iodo-3-methylbutane-2,3-diamine (CID 163792555) is 2-iodo-3-methylbutane-2,3-diamine.
What is the SMILES notation for 2-iodo-3-methylbutane-2,3-diamine?
The canonical SMILES for 2-iodo-3-methylbutane-2,3-diamine is CC(C)(N)C(C)(N)I.
What is the InChIKey of 2-iodo-3-methylbutane-2,3-diamine?
The InChIKey is MYBAFEMCRJMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2/c1-4(2,7)5(3,6)8/h7-8H2,1-3H3.
What are the key properties of 2-iodo-3-methylbutane-2,3-diamine?
2-iodo-3-methylbutane-2,3-diamine has a molecular weight of 228.08 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methylbutane-2,3-diamine is sourced from PubChem (CID 163792555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).