4-ethoxy-N,N,2-trimethylbutan-2-amine

C9H21NO — CID 144960744

IUPAC4-ethoxy-N,N,2-trimethylbutan-2-amine
SMILESCCOCCC(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-6-11-8-7-9(2,3)10(4)5/h6-8H2,1-5H3
InChIKeyNEUZSDSIXGKNAM-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds5

About 4-ethoxy-N,N,2-trimethylbutan-2-amine

4-ethoxy-N,N,2-trimethylbutan-2-amine (PubChem CID 144960744) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-ethoxy-N,N,2-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N,N,2-trimethylbutan-2-amine
PubChem CID144960744
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-ethoxy-N,N,2-trimethylbutan-2-amine
SMILESCCOCCC(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-6-11-8-7-9(2,3)10(4)5/h6-8H2,1-5H3
InChIKeyNEUZSDSIXGKNAM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 162560187
4-methoxy-N,N,2,3,3-pentamethylbutan-2-amine
CID 21041470
4-ethoxy-N,N-dimethylbutan-2-amine
CID 57135749
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
4-ethyl-N,N-dimethyloxan-4-amine
CID 57570233
N,N,4-trimethyloxan-4-amine
CID 60206385
1-methoxy-N,N,3-trimethylpentan-3-amine
CID 89228663
N-(3-ethoxypropyl)-N,2-dimethylpropan-2-amine
CID 89967753
N-(1-methoxyethyl)-N,2-dimethylbutan-2-amine
CID 90928626
N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine
CID 118684034
N,N,2-trimethyl-4-propan-2-yloxybutan-2-amine
CID 123714018
N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 126701274

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N,2-trimethylbutan-2-amine?
The IUPAC name of 4-ethoxy-N,N,2-trimethylbutan-2-amine (CID 144960744) is 4-ethoxy-N,N,2-trimethylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-N,N,2-trimethylbutan-2-amine?
The canonical SMILES for 4-ethoxy-N,N,2-trimethylbutan-2-amine is CCOCCC(C)(C)N(C)C.
What is the InChIKey of 4-ethoxy-N,N,2-trimethylbutan-2-amine?
The InChIKey is NEUZSDSIXGKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-11-8-7-9(2,3)10(4)5/h6-8H2,1-5H3.
What are the key properties of 4-ethoxy-N,N,2-trimethylbutan-2-amine?
4-ethoxy-N,N,2-trimethylbutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N,2-trimethylbutan-2-amine is sourced from PubChem (CID 144960744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).