N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine

C18H39NO — CID 138672964

IUPACN-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine
SMILESCCCCCCC(C)(CCCC)N(CC)CCOCC
InChIInChI=1S/C18H39NO/c1-6-10-12-13-15-18(5,14-11-7-2)19(8-3)16-17-20-9-4/h6-17H2,1-5H3
InChIKeyQFSKHINJUSCSDD-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.26
Rot. Bonds14

About N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine

N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine (PubChem CID 138672964) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine
PubChem CID138672964
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine
SMILESCCCCCCC(C)(CCCC)N(CC)CCOCC
InChIInChI=1S/C18H39NO/c1-6-10-12-13-15-18(5,14-11-7-2)19(8-3)16-17-20-9-4/h6-17H2,1-5H3
InChIKeyQFSKHINJUSCSDD-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine (CID 138672964) is N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine is CCCCCCC(C)(CCCC)N(CC)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine?
The InChIKey is QFSKHINJUSCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-6-10-12-13-15-18(5,14-11-7-2)19(8-3)16-17-20-9-4/h6-17H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine?
N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine has a molecular weight of 285.52 g/mol, XLogP of 5.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-5-methylundecan-5-amine is sourced from PubChem (CID 138672964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).