[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine

C13H20N2OS — CID 105341132

IUPAC[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H20N2OS/c1-17-8-7-13(15-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,13,15H,5-8,14H2,1H3
InChIKeySNPKBVIECBKEFC-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.49
Rot. Bonds7

About [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine

[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine (PubChem CID 105341132) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
PubChem CID105341132
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H20N2OS/c1-17-8-7-13(15-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,13,15H,5-8,14H2,1H3
InChIKeySNPKBVIECBKEFC-UHFFFAOYSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-methylpentyl]hydrazine
CID 105207737
[3-cyclopentyl-1-(3-cyclopropyloxyphenyl)propyl]hydrazine
CID 105341139
[1-(3-cyclopropyloxyphenyl)-3-methylbutyl]hydrazine
CID 105199146
3-(3-cyclopropyloxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244252
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
[1-(3-cyclopropyloxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105341126
[1-(3-chlorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105289207
[1-(3-cyclopropyloxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105341075
[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105341096
[2-(4-chlorophenyl)-1-(3-cyclopropyloxyphenyl)ethyl]hydrazine
CID 105197816
[(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105341156
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The IUPAC name of [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine (CID 105341132) is [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine.
What is the SMILES notation for [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The canonical SMILES for [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine is CSCCC(NN)c1cccc(OC2CC2)c1.
What is the InChIKey of [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The InChIKey is SNPKBVIECBKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17-8-7-13(15-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,13,15H,5-8,14H2,1H3.
What are the key properties of [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine?
[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine has a molecular weight of 252.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine is sourced from PubChem (CID 105341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).