N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline

C12H21N3O — CID 115260711

IUPACN-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)cc(C)c1N(C)CNN
InChIInChI=1S/C12H21N3O/c1-8-6-9(2)11(15(4)7-14-13)12(16-5)10(8)3/h6,14H,7,13H2,1-5H3
InChIKeyXCRSBXDQOMSEMA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.48
Rot. Bonds4

About N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline

N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline (PubChem CID 115260711) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
PubChem CID115260711
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
SMILESCOc1c(C)c(C)cc(C)c1N(C)CNN
InChIInChI=1S/C12H21N3O/c1-8-6-9(2)11(15(4)7-14-13)12(16-5)10(8)3/h6,14H,7,13H2,1-5H3
InChIKeyXCRSBXDQOMSEMA-UHFFFAOYSA-N
XLogP1.48
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
CID 115250728
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208742
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The IUPAC name of N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline (CID 115260711) is N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline.
What is the SMILES notation for N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The canonical SMILES for N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline is COc1c(C)c(C)cc(C)c1N(C)CNN.
What is the InChIKey of N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
The InChIKey is XCRSBXDQOMSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-6-9(2)11(15(4)7-14-13)12(16-5)10(8)3/h6,14H,7,13H2,1-5H3.
What are the key properties of N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline?
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline has a molecular weight of 223.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline is sourced from PubChem (CID 115260711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).