[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine

C18H30N2O — CID 105341096

IUPAC[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
SMILESCC(CC(NN)c1cccc(OC2CC2)c1)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(12-18(2,3)4)10-17(20-19)14-6-5-7-16(11-14)21-15-8-9-15/h5-7,11,13,15,17,20H,8-10,12,19H2,1-4H3
InChIKeyBBUPUKWYGGZCIR-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.19
Rot. Bonds7

About [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine

[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine (PubChem CID 105341096) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
PubChem CID105341096
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
SMILESCC(CC(NN)c1cccc(OC2CC2)c1)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(12-18(2,3)4)10-17(20-19)14-6-5-7-16(11-14)21-15-8-9-15/h5-7,11,13,15,17,20H,8-10,12,19H2,1-4H3
InChIKeyBBUPUKWYGGZCIR-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.19
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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Related Compounds

1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 115838493
[1-(3-cyclopropyloxyphenyl)-3-methylbutyl]hydrazine
CID 105199146
[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105328014
[1-(3-cyclopropyloxyphenyl)-4-methylpentyl]hydrazine
CID 105207737
[3-cyclopentyl-1-(3-cyclopropyloxyphenyl)propyl]hydrazine
CID 105341139
[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105341132
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
3-(3-cyclopropyloxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244252
[2-(4-chlorophenyl)-1-(3-cyclopropyloxyphenyl)ethyl]hydrazine
CID 105197816
[1-(3-cyclopropyloxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105341126
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
CID 114522678
[1-(3-cyclopropyloxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105341075

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The IUPAC name of [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine (CID 105341096) is [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine.
What is the SMILES notation for [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The canonical SMILES for [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine is CC(CC(NN)c1cccc(OC2CC2)c1)CC(C)(C)C.
What is the InChIKey of [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The InChIKey is BBUPUKWYGGZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(12-18(2,3)4)10-17(20-19)14-6-5-7-16(11-14)21-15-8-9-15/h5-7,11,13,15,17,20H,8-10,12,19H2,1-4H3.
What are the key properties of [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine has a molecular weight of 290.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine is sourced from PubChem (CID 105341096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).