2-[2-aminopropyl(methyl)amino]-N-methylpropanamide

C8H19N3O — CID 63760672

IUPAC2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(C)CC(C)N
InChIInChI=1S/C8H19N3O/c1-6(9)5-11(4)7(2)8(12)10-3/h6-7H,5,9H2,1-4H3,(H,10,12)
InChIKeyXOLOOHZJTBFQGY-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.60
Rot. Bonds4

About 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide

2-[2-aminopropyl(methyl)amino]-N-methylpropanamide (PubChem CID 63760672) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
PubChem CID63760672
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(C)CC(C)N
InChIInChI=1S/C8H19N3O/c1-6(9)5-11(4)7(2)8(12)10-3/h6-7H,5,9H2,1-4H3,(H,10,12)
InChIKeyXOLOOHZJTBFQGY-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide (CID 63760672) is 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(C)CC(C)N.
What is the InChIKey of 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide?
The InChIKey is XOLOOHZJTBFQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(9)5-11(4)7(2)8(12)10-3/h6-7H,5,9H2,1-4H3,(H,10,12).
What are the key properties of 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide?
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide has a molecular weight of 173.26 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminopropyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 63760672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).