N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine

C8H19N3O — CID 144742690

IUPACN-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine
SMILESCCC(C)/N=N/N(C)CCOC
InChIInChI=1S/C8H19N3O/c1-5-8(2)9-10-11(3)6-7-12-4/h8H,5-7H2,1-4H3/b10-9+
InChIKeyWWLMSCWDIFOAHJ-MDZDMXLPSA-N
MW173.26 g/mol
LogP1.73
Rot. Bonds6

About N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine

N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine (PubChem CID 144742690) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine
PubChem CID144742690
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine
SMILESCCC(C)/N=N/N(C)CCOC
InChIInChI=1S/C8H19N3O/c1-5-8(2)9-10-11(3)6-7-12-4/h8H,5-7H2,1-4H3/b10-9+
InChIKeyWWLMSCWDIFOAHJ-MDZDMXLPSA-N
XLogP1.73
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
CID 101178947
1-[2-(dimethylamino)propoxy]-N,N-dimethylpropan-2-amine
CID 19362268
1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine
CID 123191628
1-(2-Methoxyethyl)-2,2-dimethyl-1-propylhydrazine
CID 123916961
N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine
CID 130216361
Trimethyl-[1-[2-(trimethylazaniumyl)propoxy]propan-2-yl]azanium
CID 130339607
1-Cyclopropyl-1-(2-methoxyethyl)-2,2-dimethylhydrazine
CID 134217525
ethane;1-methoxy-N,N-dimethylpropan-2-amine
CID 144205184
(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
CID 153278847
butane;(2R)-1-methoxy-N,N-dimethylpropan-2-amine
CID 169191736
3,4-Dimethyl-1,9-dioxa-4,5,6-triazacycloundec-5-ene
CID 170244805
1,1-Diethyl-2-(2-methoxyethyl)-2-methylhydrazine
CID 174646127

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine (CID 144742690) is N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine is CCC(C)/N=N/N(C)CCOC.
What is the InChIKey of N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine?
The InChIKey is WWLMSCWDIFOAHJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H19N3O/c1-5-8(2)9-10-11(3)6-7-12-4/h8H,5-7H2,1-4H3/b10-9+.
What are the key properties of N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine?
N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yldiazenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 144742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).