3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide

C13H30N4O — CID 55226009

IUPAC3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CN(C)CCCN(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-6-8-15-13(2,12(14)18)11-17(5)10-7-9-16(3)4/h15H,6-11H2,1-5H3,(H2,14,18)
InChIKeyCAJWSEXTVJEEBL-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.11
Rot. Bonds10

About 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide

3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide (PubChem CID 55226009) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
PubChem CID55226009
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CN(C)CCCN(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-6-8-15-13(2,12(14)18)11-17(5)10-7-9-16(3)4/h15H,6-11H2,1-5H3,(H2,14,18)
InChIKeyCAJWSEXTVJEEBL-UHFFFAOYSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide (CID 55226009) is 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide is CCCNC(C)(CN(C)CCCN(C)C)C(N)=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide?
The InChIKey is CAJWSEXTVJEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-6-8-15-13(2,12(14)18)11-17(5)10-7-9-16(3)4/h15H,6-11H2,1-5H3,(H2,14,18).
What are the key properties of 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide?
3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide has a molecular weight of 258.41 g/mol, XLogP of 0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 55226009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).