N-[2-(aminomethyl)-2-ethylbutyl]hexanamide

C13H28N2O — CID 106250199

IUPACN-[2-(aminomethyl)-2-ethylbutyl]hexanamide
SMILESCCCCCC(=O)NCC(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-4-7-8-9-12(16)15-11-13(5-2,6-3)10-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKeyPKFNGELLNDDYCK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.45
Rot. Bonds9

About N-[2-(aminomethyl)-2-ethylbutyl]hexanamide

N-[2-(aminomethyl)-2-ethylbutyl]hexanamide (PubChem CID 106250199) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]hexanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]hexanamide
PubChem CID106250199
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]hexanamide
SMILESCCCCCC(=O)NCC(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-4-7-8-9-12(16)15-11-13(5-2,6-3)10-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKeyPKFNGELLNDDYCK-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
CID 88757544
CID 88757544
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-(2-aminoethyl)nonanamide
CID 13028008

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]hexanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]hexanamide (CID 106250199) is N-[2-(aminomethyl)-2-ethylbutyl]hexanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]hexanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]hexanamide is CCCCCC(=O)NCC(CC)(CC)CN.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]hexanamide?
The InChIKey is PKFNGELLNDDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-8-9-12(16)15-11-13(5-2,6-3)10-14/h4-11,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]hexanamide?
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]hexanamide is sourced from PubChem (CID 106250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).