2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine

C17H37NO — CID 63508620

IUPAC2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
SMILESCCCCCCC(CC)(CCCC)CNCCOC
InChIInChI=1S/C17H37NO/c1-5-8-10-11-13-17(7-3,12-9-6-2)16-18-14-15-19-4/h18H,5-16H2,1-4H3
InChIKeyRSPXVUBWDIIJQY-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds14

About 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine

2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine (PubChem CID 63508620) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine.

Molecular Properties

Compound Name2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
PubChem CID63508620
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
SMILESCCCCCCC(CC)(CCCC)CNCCOC
InChIInChI=1S/C17H37NO/c1-5-8-10-11-13-17(7-3,12-9-6-2)16-18-14-15-19-4/h18H,5-16H2,1-4H3
InChIKeyRSPXVUBWDIIJQY-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
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-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine?
The IUPAC name of 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine (CID 63508620) is 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine.
What is the SMILES notation for 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine?
The canonical SMILES for 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine is CCCCCCC(CC)(CCCC)CNCCOC.
What is the InChIKey of 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine?
The InChIKey is RSPXVUBWDIIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-5-8-10-11-13-17(7-3,12-9-6-2)16-18-14-15-19-4/h18H,5-16H2,1-4H3.
What are the key properties of 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine?
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine is sourced from PubChem (CID 63508620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).