[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine

C16H26N2O — CID 105314004

IUPAC[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCc1cccc(C(CCCC2CCCO2)NN)c1C
InChIInChI=1S/C16H26N2O/c1-12-6-3-9-15(13(12)2)16(18-17)10-4-7-14-8-5-11-19-14/h3,6,9,14,16,18H,4-5,7-8,10-11,17H2,1-2H3
InChIKeyOCMYYHZZMUXVHS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.16
Rot. Bonds6

About [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine

[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 105314004) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID105314004
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCc1cccc(C(CCCC2CCCO2)NN)c1C
InChIInChI=1S/C16H26N2O/c1-12-6-3-9-15(13(12)2)16(18-17)10-4-7-14-8-5-11-19-14/h3,6,9,14,16,18H,4-5,7-8,10-11,17H2,1-2H3
InChIKeyOCMYYHZZMUXVHS-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.16
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

[4-(oxolan-2-yl)-1-quinoxalin-5-ylbutyl]hydrazine
CID 105314120
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720
[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314283
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314132
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine (CID 105314004) is [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine is Cc1cccc(C(CCCC2CCCO2)NN)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is OCMYYHZZMUXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-3-9-15(13(12)2)16(18-17)10-4-7-14-8-5-11-19-14/h3,6,9,14,16,18H,4-5,7-8,10-11,17H2,1-2H3.
What are the key properties of [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 262.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105314004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).