4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide

C13H28N2O3 — CID 82722451

IUPAC4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
SMILESCOCCONC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)11(7-8-14)5-6-12(16)15-18-10-9-17-4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyRJFNBXUNCYLZDH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.47
Rot. Bonds9

About 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide (PubChem CID 82722451) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
PubChem CID82722451
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
SMILESCOCCONC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)11(7-8-14)5-6-12(16)15-18-10-9-17-4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyRJFNBXUNCYLZDH-UHFFFAOYSA-N
XLogP1.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
N-(2-methoxyethoxy)-3-(propan-2-ylamino)propanamide
CID 81433255
4-(2-methoxyethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 82706184
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
5-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentanamide
CID 89167805
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
2-(2-methylpropoxy)ethyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106448205

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide (CID 82722451) is 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide is COCCONC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide?
The InChIKey is RJFNBXUNCYLZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,3)11(7-8-14)5-6-12(16)15-18-10-9-17-4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide has a molecular weight of 260.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide is sourced from PubChem (CID 82722451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).