1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine

C17H38N2O — CID 90876291

IUPAC1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine
SMILESCCC(C)C(CC)NNCC(C)(C)OCCC(C)(C)C
InChIInChI=1S/C17H38N2O/c1-9-14(3)15(10-2)19-18-13-17(7,8)20-12-11-16(4,5)6/h14-15,18-19H,9-13H2,1-8H3
InChIKeyAUXDWKGKPXXJMK-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.14
Rot. Bonds10

About 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine

1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine (PubChem CID 90876291) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine
PubChem CID90876291
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine
SMILESCCC(C)C(CC)NNCC(C)(C)OCCC(C)(C)C
InChIInChI=1S/C17H38N2O/c1-9-14(3)15(10-2)19-18-13-17(7,8)20-12-11-16(4,5)6/h14-15,18-19H,9-13H2,1-8H3
InChIKeyAUXDWKGKPXXJMK-UHFFFAOYSA-N
XLogP4.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine (CID 90876291) is 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine is CCC(C)C(CC)NNCC(C)(C)OCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine?
The InChIKey is AUXDWKGKPXXJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-9-14(3)15(10-2)19-18-13-17(7,8)20-12-11-16(4,5)6/h14-15,18-19H,9-13H2,1-8H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine?
1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine has a molecular weight of 286.50 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-2-(4-methylhexan-3-yl)hydrazine is sourced from PubChem (CID 90876291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).