N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine

C9H21NO — CID 90974775

IUPACN-ethyl-1-methoxy-N,3-dimethylbutan-1-amine
SMILESCCN(C)C(CC(C)C)OC
InChIInChI=1S/C9H21NO/c1-6-10(4)9(11-5)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyRSLLFLUGMPEEGU-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine

N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 90974775) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N,3-dimethylbutan-1-amine
PubChem CID90974775
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-1-methoxy-N,3-dimethylbutan-1-amine
SMILESCCN(C)C(CC(C)C)OC
InChIInChI=1S/C9H21NO/c1-6-10(4)9(11-5)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyRSLLFLUGMPEEGU-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N,N-diethylaminomethyl)tetrahydrofuran
CID 14323080
(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 156843552
N,N-dibutyl-4-methoxybutan-1-amine
CID 265279
3,6,10,13-Tetramethyl-1-oxa-6,10-diazacyclotetradecane
CID 15420794
N-(ethoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 12346639
Ethanolate;tetrakis(3-methylbutyl)azanium
CID 20333542
Propan-1-olate;tetrakis(3-methylbutyl)azanium
CID 20333564
1-[Bis(3-methylbutyl)amino]ethanol
CID 20466942
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783
3-(Methoxymethyl)pentyl-trimethylazanium
CID 20714785
3-(Methoxymethyl)pentyl-methyl-dipropylazanium
CID 20714788
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine (CID 90974775) is N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine is CCN(C)C(CC(C)C)OC.
What is the InChIKey of N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is RSLLFLUGMPEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-10(4)9(11-5)7-8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine?
N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 90974775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).