N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide

C12H27N3O — CID 63693670

IUPACN-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNC(C)(C)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C12H27N3O/c1-7-13-12(2,3)11(16)15(6)10-8-9-14(4)5/h13H,7-10H2,1-6H3
InChIKeyBEHTUYIGPKUSJO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.78
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide

N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 63693670) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
PubChem CID63693670
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNC(C)(C)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C12H27N3O/c1-7-13-12(2,3)11(16)15(6)10-8-9-14(4)5/h13H,7-10H2,1-6H3
InChIKeyBEHTUYIGPKUSJO-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N,2-dimethyl-N-(2-methylpropyl)propanamide
CID 62833280
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
N-[2-(diethylamino)-2-oxoethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62835893
2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
CID 114292308
N-ethyl-2-(ethylamino)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 62835692
N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62835487
2-(ethylamino)-2-methyl-N,N-bis(3-methylbutyl)propanamide
CID 62834927
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
2-(ethylamino)-N-[2-(3-fluorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 62836449
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide (CID 63693670) is N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide is CCNC(C)(C)C(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is BEHTUYIGPKUSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-13-12(2,3)11(16)15(6)10-8-9-14(4)5/h13H,7-10H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide?
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 229.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 63693670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).