4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine

C9H21NO2 — CID 143607553

IUPAC4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
SMILESCOCCCCN(C)CCOC
InChIInChI=1S/C9H21NO2/c1-10(7-9-12-3)6-4-5-8-11-2/h4-9H2,1-3H3
InChIKeyCCXLIPWQXPUFCU-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.99
Rot. Bonds8

About 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine

4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine (PubChem CID 143607553) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
PubChem CID143607553
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
SMILESCOCCCCN(C)CCOC
InChIInChI=1S/C9H21NO2/c1-10(7-9-12-3)6-4-5-8-11-2/h4-9H2,1-3H3
InChIKeyCCXLIPWQXPUFCU-UHFFFAOYSA-N
XLogP0.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
CID 177247615
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
ethene;N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 143338989
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine (CID 143607553) is 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine is COCCCCN(C)CCOC.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine?
The InChIKey is CCXLIPWQXPUFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-10(7-9-12-3)6-4-5-8-11-2/h4-9H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine?
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 0.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine is sourced from PubChem (CID 143607553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).