3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide

C12H26N2O2 — CID 106148146

IUPAC3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C12H26N2O2/c1-11(2,6-5-7-15)9-14-10(16)8-12(3,4)13/h15H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyGUIUYWIGYMLBAD-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds7

About 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide

3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide (PubChem CID 106148146) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
PubChem CID106148146
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C12H26N2O2/c1-11(2,6-5-7-15)9-14-10(16)8-12(3,4)13/h15H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyGUIUYWIGYMLBAD-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-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 106148305
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide (CID 106148146) is 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCC(C)(C)CCCO.
What is the InChIKey of 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide?
The InChIKey is GUIUYWIGYMLBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,6-5-7-15)9-14-10(16)8-12(3,4)13/h15H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide?
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide 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-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide is sourced from PubChem (CID 106148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).