N-ethoxy-1-methoxy-3-methylbutan-2-amine

C8H19NO2 — CID 82709141

IUPACN-ethoxy-1-methoxy-3-methylbutan-2-amine
SMILESCCONC(COC)C(C)C
InChIInChI=1S/C8H19NO2/c1-5-11-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyZRKUSAWDIFFWJY-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.20
Rot. Bonds6

About N-ethoxy-1-methoxy-3-methylbutan-2-amine

N-ethoxy-1-methoxy-3-methylbutan-2-amine (PubChem CID 82709141) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is N-ethoxy-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethoxy-1-methoxy-3-methylbutan-2-amine
PubChem CID82709141
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC NameN-ethoxy-1-methoxy-3-methylbutan-2-amine
SMILESCCONC(COC)C(C)C
InChIInChI=1S/C8H19NO2/c1-5-11-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyZRKUSAWDIFFWJY-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
CID 65048803
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
CID 115719163
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
CID 65047566
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721836
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-ethoxy-1-methoxy-3-methylbutan-2-amine (CID 82709141) is N-ethoxy-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-ethoxy-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-ethoxy-1-methoxy-3-methylbutan-2-amine is CCONC(COC)C(C)C.
What is the InChIKey of N-ethoxy-1-methoxy-3-methylbutan-2-amine?
The InChIKey is ZRKUSAWDIFFWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-11-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-ethoxy-1-methoxy-3-methylbutan-2-amine?
N-ethoxy-1-methoxy-3-methylbutan-2-amine has a molecular weight of 161.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 82709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).