6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide

C13H28N2O2 — CID 81059329

IUPAC6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
SMILESCCOCCN(C)C(=O)CCC(CC)CCN
InChIInChI=1S/C13H28N2O2/c1-4-12(8-9-14)6-7-13(16)15(3)10-11-17-5-2/h12H,4-11,14H2,1-3H3
InChIKeyKKSXYTHDSRMDFM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.64
Rot. Bonds10

About 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide

6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide (PubChem CID 81059329) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
PubChem CID81059329
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
SMILESCCOCCN(C)C(=O)CCC(CC)CCN
InChIInChI=1S/C13H28N2O2/c1-4-12(8-9-14)6-7-13(16)15(3)10-11-17-5-2/h12H,4-11,14H2,1-3H3
InChIKeyKKSXYTHDSRMDFM-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide?
The IUPAC name of 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide (CID 81059329) is 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide?
The canonical SMILES for 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide is CCOCCN(C)C(=O)CCC(CC)CCN.
What is the InChIKey of 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide?
The InChIKey is KKSXYTHDSRMDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-12(8-9-14)6-7-13(16)15(3)10-11-17-5-2/h12H,4-11,14H2,1-3H3.
What are the key properties of 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide?
6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide is sourced from PubChem (CID 81059329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).