4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine

C12H27NO — CID 62726303

IUPAC4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCOCCC(C)(CC)CNC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(5,8-9-14-7-2)10-13-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyWCTANKQJZZIXIO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine

4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62726303) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62726303
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCOCCC(C)(CC)CNC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(5,8-9-14-7-2)10-13-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyWCTANKQJZZIXIO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 104566543
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
2-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62723212
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 138745530
5-ethoxy-2,3,3-trimethyl-N-propan-2-ylpentan-2-amine
CID 176679059
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine (CID 62726303) is 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine is CCOCCC(C)(CC)CNC(C)C.
What is the InChIKey of 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is WCTANKQJZZIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(5,8-9-14-7-2)10-13-11(3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine?
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).