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

C13H28N2O2 — CID 106250717

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
SMILESCCC(CC)(CN)CNC(=O)CCC(C)OC
InChIInChI=1S/C13H28N2O2/c1-5-13(6-2,9-14)10-15-12(16)8-7-11(3)17-4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyGCXVMLCPWIWTKJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds9

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

N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide (PubChem CID 106250717) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
PubChem CID106250717
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
SMILESCCC(CC)(CN)CNC(=O)CCC(C)OC
InChIInChI=1S/C13H28N2O2/c1-5-13(6-2,9-14)10-15-12(16)8-7-11(3)17-4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyGCXVMLCPWIWTKJ-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
CID 106140134
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
N-[(4-aminocyclohexyl)methyl]-4-methoxypentanamide
CID 106124719
2-amino-N-(2,2-diethyl-4-hydroxybutyl)acetamide
CID 119343174

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide (CID 106250717) is N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide is CCC(CC)(CN)CNC(=O)CCC(C)OC.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide?
The InChIKey is GCXVMLCPWIWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-13(6-2,9-14)10-15-12(16)8-7-11(3)17-4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 9 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-methoxypentanamide is sourced from PubChem (CID 106250717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).