N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide

C13H28N2O2 — CID 114164008

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
SMILESCCC(CC)(CN)CNC(=O)C(C)(CC)OC
InChIInChI=1S/C13H28N2O2/c1-6-12(4,17-5)11(16)15-10-13(7-2,8-3)9-14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyULPIVEVAEUBBAZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide

N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide (PubChem CID 114164008) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
PubChem CID114164008
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
SMILESCCC(CC)(CN)CNC(=O)C(C)(CC)OC
InChIInChI=1S/C13H28N2O2/c1-6-12(4,17-5)11(16)15-10-13(7-2,8-3)9-14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyULPIVEVAEUBBAZ-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
CID 114106377
N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
CID 106285954
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide (CID 114164008) is N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide is CCC(CC)(CN)CNC(=O)C(C)(CC)OC.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide?
The InChIKey is ULPIVEVAEUBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-12(4,17-5)11(16)15-10-13(7-2,8-3)9-14/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 8 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]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114164008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).