2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide

C12H26N2O2 — CID 115760355

IUPAC2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
SMILESCCCC(O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C12H26N2O2/c1-4-7-10(15)8-14-11(16)12(5-2,6-3)9-13/h10,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyBLSHVVCGBPVWSH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds8

About 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide

2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide (PubChem CID 115760355) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
PubChem CID115760355
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
SMILESCCCC(O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C12H26N2O2/c1-4-7-10(15)8-14-11(16)12(5-2,6-3)9-13/h10,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyBLSHVVCGBPVWSH-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
CID 151069268
N-(2-hydroxypentyl)pentanamide
CID 115700612
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)acetamide
CID 115700908
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide (CID 115760355) is 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide is CCCC(O)CNC(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide?
The InChIKey is BLSHVVCGBPVWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-10(15)8-14-11(16)12(5-2,6-3)9-13/h10,15H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 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-hydroxypentyl)butanamide is sourced from PubChem (CID 115760355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).