2,3-dimethylbutane-2,3-diamine;hexane

C12H30N2 — CID 88683031

IUPAC2,3-dimethylbutane-2,3-diamine;hexane
SMILESCC(C)(N)C(C)(C)N.CCCCCC
InChIInChI=1S/C6H16N2.C6H14/c1-5(2,7)6(3,4)8;1-3-5-6-4-2/h7-8H2,1-4H3;3-6H2,1-2H3
InChIKeyZPEMGKWWSSQSJH-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.05
Rot. Bonds4

About 2,3-dimethylbutane-2,3-diamine;hexane

2,3-dimethylbutane-2,3-diamine;hexane (PubChem CID 88683031) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diamine;hexane.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diamine;hexane
PubChem CID88683031
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Name2,3-dimethylbutane-2,3-diamine;hexane
SMILESCC(C)(N)C(C)(C)N.CCCCCC
InChIInChI=1S/C6H16N2.C6H14/c1-5(2,7)6(3,4)8;1-3-5-6-4-2/h7-8H2,1-4H3;3-6H2,1-2H3
InChIKeyZPEMGKWWSSQSJH-UHFFFAOYSA-N
XLogP3.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropane;heptane
CID 144531055
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
3,3-diethyl-2-methylheptadecan-2-amine
CID 139431028
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
6,7-dipentyldodecane-6,7-diamine
CID 23346628
methanamine;tris(octane)
CID 173014836
heptadecane;hydrazine
CID 174880698
methanamine;octane
CID 174301406

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diamine;hexane?
The IUPAC name of 2,3-dimethylbutane-2,3-diamine;hexane (CID 88683031) is 2,3-dimethylbutane-2,3-diamine;hexane.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diamine;hexane?
The canonical SMILES for 2,3-dimethylbutane-2,3-diamine;hexane is CC(C)(N)C(C)(C)N.CCCCCC.
What is the InChIKey of 2,3-dimethylbutane-2,3-diamine;hexane?
The InChIKey is ZPEMGKWWSSQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H14/c1-5(2,7)6(3,4)8;1-3-5-6-4-2/h7-8H2,1-4H3;3-6H2,1-2H3.
What are the key properties of 2,3-dimethylbutane-2,3-diamine;hexane?
2,3-dimethylbutane-2,3-diamine;hexane has a molecular weight of 202.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diamine;hexane is sourced from PubChem (CID 88683031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).