6-amino-N-(2,2-dimethoxyethyl)hexanamide

C10H22N2O3 — CID 61275661

IUPAC6-amino-N-(2,2-dimethoxyethyl)hexanamide
SMILESCOC(CNC(=O)CCCCCN)OC
InChIInChI=1S/C10H22N2O3/c1-14-10(15-2)8-12-9(13)6-4-3-5-7-11/h10H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyLWIYLNSRQWYQKE-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.24
Rot. Bonds9

About 6-amino-N-(2,2-dimethoxyethyl)hexanamide

6-amino-N-(2,2-dimethoxyethyl)hexanamide (PubChem CID 61275661) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-amino-N-(2,2-dimethoxyethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-dimethoxyethyl)hexanamide
PubChem CID61275661
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name6-amino-N-(2,2-dimethoxyethyl)hexanamide
SMILESCOC(CNC(=O)CCCCCN)OC
InChIInChI=1S/C10H22N2O3/c1-14-10(15-2)8-12-9(13)6-4-3-5-7-11/h10H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyLWIYLNSRQWYQKE-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-dimethoxyethyl)hexanamide?
The IUPAC name of 6-amino-N-(2,2-dimethoxyethyl)hexanamide (CID 61275661) is 6-amino-N-(2,2-dimethoxyethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2,2-dimethoxyethyl)hexanamide?
The canonical SMILES for 6-amino-N-(2,2-dimethoxyethyl)hexanamide is COC(CNC(=O)CCCCCN)OC.
What is the InChIKey of 6-amino-N-(2,2-dimethoxyethyl)hexanamide?
The InChIKey is LWIYLNSRQWYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-14-10(15-2)8-12-9(13)6-4-3-5-7-11/h10H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-N-(2,2-dimethoxyethyl)hexanamide?
6-amino-N-(2,2-dimethoxyethyl)hexanamide has a molecular weight of 218.30 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-dimethoxyethyl)hexanamide is sourced from PubChem (CID 61275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).