3-[2-aminoethyl(methyl)amino]-N-methylpropanamide

C7H17N3O — CID 58105370

IUPAC3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCN
InChIInChI=1S/C7H17N3O/c1-9-7(11)3-5-10(2)6-4-8/h3-6,8H2,1-2H3,(H,9,11)
InChIKeyMXOLLMHQZAJVHP-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.99
Rot. Bonds5

About 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide

3-[2-aminoethyl(methyl)amino]-N-methylpropanamide (PubChem CID 58105370) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
PubChem CID58105370
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCN
InChIInChI=1S/C7H17N3O/c1-9-7(11)3-5-10(2)6-4-8/h3-6,8H2,1-2H3,(H,9,11)
InChIKeyMXOLLMHQZAJVHP-UHFFFAOYSA-N
XLogP-0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
3-[3-aminopropylsulfonyl(methyl)amino]-N-methylpropanamide
CID 106915137
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
CID 58105615
3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
CID 118657481
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
CID 102040289
4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
CID 63893076
3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide
CID 103746441
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide (CID 58105370) is 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide is CNC(=O)CCN(C)CCN.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide?
The InChIKey is MXOLLMHQZAJVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-9-7(11)3-5-10(2)6-4-8/h3-6,8H2,1-2H3,(H,9,11).
What are the key properties of 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide?
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide has a molecular weight of 159.23 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 58105370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).