2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane

C17H38N2O — CID 142004178

IUPAC2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane
SMILESCC.CCC(C)(C)CC(C(=O)NN)C(C)(C)CC(C)C
InChIInChI=1S/C15H32N2O.C2H6/c1-8-14(4,5)10-12(13(18)17-16)15(6,7)9-11(2)3;1-2/h11-12H,8-10,16H2,1-7H3,(H,17,18);1-2H3
InChIKeyMXMJASATPMKOPA-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.52
Rot. Bonds7

About 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane

2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane (PubChem CID 142004178) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane
PubChem CID142004178
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane
SMILESCC.CCC(C)(C)CC(C(=O)NN)C(C)(C)CC(C)C
InChIInChI=1S/C15H32N2O.C2H6/c1-8-14(4,5)10-12(13(18)17-16)15(6,7)9-11(2)3;1-2/h11-12H,8-10,16H2,1-7H3,(H,17,18);1-2H3
InChIKeyMXMJASATPMKOPA-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane?
The IUPAC name of 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane (CID 142004178) is 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane?
The canonical SMILES for 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane is CC.CCC(C)(C)CC(C(=O)NN)C(C)(C)CC(C)C.
What is the InChIKey of 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane?
The InChIKey is MXMJASATPMKOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.C2H6/c1-8-14(4,5)10-12(13(18)17-16)15(6,7)9-11(2)3;1-2/h11-12H,8-10,16H2,1-7H3,(H,17,18);1-2H3.
What are the key properties of 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane?
2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane has a molecular weight of 286.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-3,3,5-trimethylhexanehydrazide;ethane is sourced from PubChem (CID 142004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).