1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine

C13H22N2O — CID 57314053

IUPAC1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine
SMILESCOCN(Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-11-7-6-8-12(9-11)14-15(10-16-5)13(2,3)4/h6-9,14H,10H2,1-5H3
InChIKeyUMSXCHBMZRJVCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds4

About 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine

1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine (PubChem CID 57314053) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine.

Molecular Properties

Compound Name1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine
PubChem CID57314053
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine
SMILESCOCN(Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-11-7-6-8-12(9-11)14-15(10-16-5)13(2,3)4/h6-9,14H,10H2,1-5H3
InChIKeyUMSXCHBMZRJVCJ-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
1-fluoro-2-(3-methylphenyl)-1-phenylhydrazine
CID 57274406
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
N-(ethylselanylmethyl)-3-methylaniline
CID 10633082
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62555115
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine?
The IUPAC name of 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine (CID 57314053) is 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine.
What is the SMILES notation for 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine?
The canonical SMILES for 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine is COCN(Nc1cccc(C)c1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine?
The InChIKey is UMSXCHBMZRJVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-7-6-8-12(9-11)14-15(10-16-5)13(2,3)4/h6-9,14H,10H2,1-5H3.
What are the key properties of 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine?
1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine has a molecular weight of 222.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine is sourced from PubChem (CID 57314053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).