N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine

C11H25NO2 — CID 79568933

IUPACN-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
SMILESCCCOCCC(C)CNCCOC
InChIInChI=1S/C11H25NO2/c1-4-7-14-8-5-11(2)10-12-6-9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyMFJVXPXKGGHPPK-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.68
Rot. Bonds10

About N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine

N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine (PubChem CID 79568933) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
PubChem CID79568933
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
SMILESCCCOCCC(C)CNCCOC
InChIInChI=1S/C11H25NO2/c1-4-7-14-8-5-11(2)10-12-6-9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyMFJVXPXKGGHPPK-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
CID 170065309
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine (CID 79568933) is N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine is CCCOCCC(C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine?
The InChIKey is MFJVXPXKGGHPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-7-14-8-5-11(2)10-12-6-9-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine?
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine is sourced from PubChem (CID 79568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).