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

C13H29ClN2O — CID 3024638

IUPAC3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
SMILESCN(C)CCC(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7;/h8-10H2,1-7H3,(H,14,16);1H
InChIKeyLLVDFVSJWIAJDE-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.69
Rot. Bonds5

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

3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride (PubChem CID 3024638) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
PubChem CID3024638
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Name3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
SMILESCN(C)CCC(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7;/h8-10H2,1-7H3,(H,14,16);1H
InChIKeyLLVDFVSJWIAJDE-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.69
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
Acetamide, 2-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024587
Acetamide, 2-(diethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024809
1-Piperidinepropionamide, N-tert-pentyl-, hydrochloride
CID 24842768
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3065264
[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-amino-N-(2,4-dimethylpentan-2-yl)propanamide
CID 57700638
(2S)-N-tert-butyl-2-[(dimethylamino)methyl]-3,3-dimethylbutanamide
CID 57722103
Trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium
CID 58085093

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride (CID 3024638) is 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride is CN(C)CCC(=O)NC(C)(C)CC(C)(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The InChIKey is LLVDFVSJWIAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7;/h8-10H2,1-7H3,(H,14,16);1H.
What are the key properties of 3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 3024638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).