3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide

C13H28N2O — CID 3024639

IUPAC3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCN(C)CCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7/h8-10H2,1-7H3,(H,14,16)
InChIKeyBRBNHQQKNWYSTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds5

About 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 3024639) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID3024639
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCN(C)CCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7/h8-10H2,1-7H3,(H,14,16)
InChIKeyBRBNHQQKNWYSTG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinepropionamide, N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3065263
Propionamide, 3-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024638
2-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 3024588
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 3024810
3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3065264
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
CID 24842769
3-(Diethylamino)-3-methylbutanamide
CID 18792212
[3-(4,4-Dimethylpentylamino)-3-oxopropyl]azanium
CID 20608663
3-amino-N-(4,4-dimethylpentyl)propanamide
CID 20608664
[3-(4,4-Dimethylpentylamino)-3-oxopropyl]azanide
CID 20773510
3-[(4-amino-2-methylbutan-2-yl)amino]-N,N-dimethylpropanamide
CID 22123415
3-amino-N-(2,4-dimethylpentan-2-yl)propanamide
CID 57700638

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 3024639) is 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide is CN(C)CCC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is BRBNHQQKNWYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7/h8-10H2,1-7H3,(H,14,16).
What are the key properties of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 3024639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).