[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine

C17H32N2O — CID 105321310

IUPAC[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine
SMILESCCOCC(CC12CC3CC(C)(CC(C)(C3)C1)C2)NN
InChIInChI=1S/C17H32N2O/c1-4-20-9-14(19-18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14,19H,4-12,18H2,1-3H3
InChIKeyYZFKBHSAWAFOHS-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.24
Rot. Bonds6

About [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine

[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine (PubChem CID 105321310) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine
PubChem CID105321310
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine
SMILESCCOCC(CC12CC3CC(C)(CC(C)(C3)C1)C2)NN
InChIInChI=1S/C17H32N2O/c1-4-20-9-14(19-18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14,19H,4-12,18H2,1-3H3
InChIKeyYZFKBHSAWAFOHS-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine (CID 105321310) is [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine is CCOCC(CC12CC3CC(C)(CC(C)(C3)C1)C2)NN.
What is the InChIKey of [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine?
The InChIKey is YZFKBHSAWAFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-20-9-14(19-18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14,19H,4-12,18H2,1-3H3.
What are the key properties of [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine?
[1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine has a molecular weight of 280.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105321310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).