N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide

C13H28N2O2 — CID 114164021

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCC(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-4-13(5-2,10-14)11-15-12(16)8-7-9-17-6-3/h4-11,14H2,1-3H3,(H,15,16)
InChIKeyDIAGEPHCSSARFX-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds10

About N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide

N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide (PubChem CID 114164021) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
PubChem CID114164021
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCC(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-4-13(5-2,10-14)11-15-12(16)8-7-9-17-6-3/h4-11,14H2,1-3H3,(H,15,16)
InChIKeyDIAGEPHCSSARFX-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
CID 119641759
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
bis[4-[(3-amino-2,2-dimethylpropyl)amino]-4-oxobutyl] oxalate
CID 57210877
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide (CID 114164021) is N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide is CCOCCCC(=O)NCC(CC)(CC)CN.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide?
The InChIKey is DIAGEPHCSSARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-13(5-2,10-14)11-15-12(16)8-7-9-17-6-3/h4-11,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide is sourced from PubChem (CID 114164021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).