3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide

C12H26N2O2 — CID 106292069

IUPAC3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
SMILESCCCC(C)(O)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-6-12(4,16)8-14-11(15)7-10(13)9(2)3/h9-10,16H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyBOTBRASPMIOGSG-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds7

About 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide

3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide (PubChem CID 106292069) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
PubChem CID106292069
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
SMILESCCCC(C)(O)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C12H26N2O2/c1-5-6-12(4,16)8-14-11(15)7-10(13)9(2)3/h9-10,16H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyBOTBRASPMIOGSG-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
3-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 106295623
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
(2S)-3-[(3-amino-4-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835936
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
CID 114169327
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
CID 106116641

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide (CID 106292069) is 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide is CCCC(C)(O)CNC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide?
The InChIKey is BOTBRASPMIOGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-12(4,16)8-14-11(15)7-10(13)9(2)3/h9-10,16H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide?
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide is sourced from PubChem (CID 106292069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).