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

C12H26N4O3 — CID 54874249

IUPAC2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
SMILESCOCCN(CCCN(C)C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H26N4O3/c1-15(2)5-4-6-16(7-8-19-3)12(18)10(13)9-11(14)17/h10H,4-9,13H2,1-3H3,(H2,14,17)
InChIKeyQTVPVQVWWRBLII-UHFFFAOYSA-N
MW274.37 g/mol
LogP-1.38
Rot. Bonds10

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

2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide (PubChem CID 54874249) has the molecular formula C12H26N4O3 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
PubChem CID54874249
Molecular FormulaC12H26N4O3
Molecular Weight274.37 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
SMILESCOCCN(CCCN(C)C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H26N4O3/c1-15(2)5-4-6-16(7-8-19-3)12(18)10(13)9-11(14)17/h10H,4-9,13H2,1-3H3,(H2,14,17)
InChIKeyQTVPVQVWWRBLII-UHFFFAOYSA-N
XLogP-1.38
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
CID 64896902
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
2-amino-N,N-dibutyl-3-methoxypropanamide
CID 81081055
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide (CID 54874249) is 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide is COCCN(CCCN(C)C)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide?
The InChIKey is QTVPVQVWWRBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3/c1-15(2)5-4-6-16(7-8-19-3)12(18)10(13)9-11(14)17/h10H,4-9,13H2,1-3H3,(H2,14,17).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide?
2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide has a molecular weight of 274.37 g/mol, XLogP of -1.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 54874249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).