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

C13H29N3O2 — CID 113307599

IUPAC3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(CCCN(C)C)C(=O)C(C)(C)CN
InChIInChI=1S/C13H29N3O2/c1-13(2,11-14)12(17)16(9-10-18-5)8-6-7-15(3)4/h6-11,14H2,1-5H3
InChIKeyLEBVKRXHYOYQPS-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.40
Rot. Bonds9

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

3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (PubChem CID 113307599) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
PubChem CID113307599
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(CCCN(C)C)C(=O)C(C)(C)CN
InChIInChI=1S/C13H29N3O2/c1-13(2,11-14)12(17)16(9-10-18-5)8-6-7-15(3)4/h6-11,14H2,1-5H3
InChIKeyLEBVKRXHYOYQPS-UHFFFAOYSA-N
XLogP0.40
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
CID 114290515
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
CID 54874249
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 113307587
2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
CID 61217362

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (CID 113307599) is 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is COCCN(CCCN(C)C)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is LEBVKRXHYOYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-13(2,11-14)12(17)16(9-10-18-5)8-6-7-15(3)4/h6-11,14H2,1-5H3.
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 113307599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).