3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide

C9H20N4O2 — CID 59678481

IUPAC3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide
SMILESCNCCC(=O)NCNC(=O)CCNC
InChIInChI=1S/C9H20N4O2/c1-10-5-3-8(14)12-7-13-9(15)4-6-11-2/h10-11H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNCXAMGLCSBTHGX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.60
Rot. Bonds8

About 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide

3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide (PubChem CID 59678481) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide
PubChem CID59678481
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide
SMILESCNCCC(=O)NCNC(=O)CCNC
InChIInChI=1S/C9H20N4O2/c1-10-5-3-8(14)12-7-13-9(15)4-6-11-2/h10-11H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNCXAMGLCSBTHGX-UHFFFAOYSA-N
XLogP-1.60
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide (CID 59678481) is 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide is CNCCC(=O)NCNC(=O)CCNC.
What is the InChIKey of 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide?
The InChIKey is NCXAMGLCSBTHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-10-5-3-8(14)12-7-13-9(15)4-6-11-2/h10-11H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide?
3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.60, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide is sourced from PubChem (CID 59678481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).