2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide

C12H26N2O2 — CID 106176135

IUPAC2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C12H26N2O2/c1-5-9(3)10(13)11(16)14-12(4,6-2)7-8-15/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFSOBRZMSCMGOBY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds7

About 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide

2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide (PubChem CID 106176135) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
PubChem CID106176135
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C12H26N2O2/c1-5-9(3)10(13)11(16)14-12(4,6-2)7-8-15/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFSOBRZMSCMGOBY-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide (CID 106176135) is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)(CC)CCO.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide?
The InChIKey is FSOBRZMSCMGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-9(3)10(13)11(16)14-12(4,6-2)7-8-15/h9-10,15H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide?
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-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 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide is sourced from PubChem (CID 106176135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).