2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide

C13H28N2O2 — CID 114169342

IUPAC2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
SMILESCCCC(C)(O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-5-8-12(4,17)10-15-11(16)13(6-2,7-3)9-14/h17H,5-10,14H2,1-4H3,(H,15,16)
InChIKeySBPHOQMVOZTIQC-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.42
Rot. Bonds8

About 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide

2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide (PubChem CID 114169342) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
PubChem CID114169342
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
SMILESCCCC(C)(O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-5-8-12(4,17)10-15-11(16)13(6-2,7-3)9-14/h17H,5-10,14H2,1-4H3,(H,15,16)
InChIKeySBPHOQMVOZTIQC-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
CID 114169327
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148301
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
3-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 106295623

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide (CID 114169342) is 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide is CCCC(C)(O)CNC(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide?
The InChIKey is SBPHOQMVOZTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-8-12(4,17)10-15-11(16)13(6-2,7-3)9-14/h17H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide is sourced from PubChem (CID 114169342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).