[1-(3-methylphenyl)-3-propoxypropyl]hydrazine

C13H22N2O — CID 105284873

IUPAC[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
SMILESCCCOCCC(NN)c1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-3-8-16-9-7-13(15-14)12-6-4-5-11(2)10-12/h4-6,10,13,15H,3,7-9,14H2,1-2H3
InChIKeyUQUSFRQSVCUQHR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.32
Rot. Bonds7

About [1-(3-methylphenyl)-3-propoxypropyl]hydrazine

[1-(3-methylphenyl)-3-propoxypropyl]hydrazine (PubChem CID 105284873) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-(3-methylphenyl)-3-propoxypropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
PubChem CID105284873
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
SMILESCCCOCCC(NN)c1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-3-8-16-9-7-13(15-14)12-6-4-5-11(2)10-12/h4-6,10,13,15H,3,7-9,14H2,1-2H3
InChIKeyUQUSFRQSVCUQHR-UHFFFAOYSA-N
XLogP2.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
[1-(3-methylphenyl)-3-phenoxypropyl]hydrazine
CID 105191420
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
2-(3-methylphenyl)-4-propoxybutan-1-ol
CID 106459483
N,N-diethyl-3-hydrazinyl-3-(3-methylphenyl)propan-1-amine
CID 105244054
[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
CID 105200654
(3-propoxy-1-thiophen-3-ylpropyl)hydrazine
CID 105311994
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587
[1-(3,5-dimethylphenyl)-3-methoxypropyl]hydrazine
CID 105206512
[1-(3,5-dimethylphenyl)-3-phenoxypropyl]hydrazine
CID 105191519

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-3-propoxypropyl]hydrazine?
The IUPAC name of [1-(3-methylphenyl)-3-propoxypropyl]hydrazine (CID 105284873) is [1-(3-methylphenyl)-3-propoxypropyl]hydrazine.
What is the SMILES notation for [1-(3-methylphenyl)-3-propoxypropyl]hydrazine?
The canonical SMILES for [1-(3-methylphenyl)-3-propoxypropyl]hydrazine is CCCOCCC(NN)c1cccc(C)c1.
What is the InChIKey of [1-(3-methylphenyl)-3-propoxypropyl]hydrazine?
The InChIKey is UQUSFRQSVCUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-16-9-7-13(15-14)12-6-4-5-11(2)10-12/h4-6,10,13,15H,3,7-9,14H2,1-2H3.
What are the key properties of [1-(3-methylphenyl)-3-propoxypropyl]hydrazine?
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine has a molecular weight of 222.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-3-propoxypropyl]hydrazine is sourced from PubChem (CID 105284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).