[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine

C16H27N3O — CID 105241501

IUPAC[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C16H27N3O/c1-4-16(3,19-8-10-20-11-9-19)15(18-17)14-7-5-6-13(2)12-14/h5-7,12,15,18H,4,8-11,17H2,1-3H3
InChIKeyGUHXKEUSQLNQIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.00
Rot. Bonds5

About [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine

[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine (PubChem CID 105241501) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine.

Molecular Properties

Compound Name[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
PubChem CID105241501
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C16H27N3O/c1-4-16(3,19-8-10-20-11-9-19)15(18-17)14-7-5-6-13(2)12-14/h5-7,12,15,18H,4,8-11,17H2,1-3H3
InChIKeyGUHXKEUSQLNQIK-UHFFFAOYSA-N
XLogP2.00
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine?
The IUPAC name of [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine (CID 105241501) is [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine.
What is the SMILES notation for [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine?
The canonical SMILES for [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine is CCC(C)(C(NN)c1cccc(C)c1)N1CCOCC1.
What is the InChIKey of [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine?
The InChIKey is GUHXKEUSQLNQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-16(3,19-8-10-20-11-9-19)15(18-17)14-7-5-6-13(2)12-14/h5-7,12,15,18H,4,8-11,17H2,1-3H3.
What are the key properties of [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine?
[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine has a molecular weight of 277.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine is sourced from PubChem (CID 105241501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).