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

C11H24N4O2 — CID 3732802

IUPAC3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide
SMILESCN(C)CCC(=O)NCNC(=O)CCN(C)C
InChIInChI=1S/C11H24N4O2/c1-14(2)7-5-10(16)12-9-13-11(17)6-8-15(3)4/h5-9H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyITZNMMZPBNAWLQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.92
Rot. Bonds8

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

3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide (PubChem CID 3732802) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide
PubChem CID3732802
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide
SMILESCN(C)CCC(=O)NCNC(=O)CCN(C)C
InChIInChI=1S/C11H24N4O2/c1-14(2)7-5-10(16)12-9-13-11(17)6-8-15(3)4/h5-9H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyITZNMMZPBNAWLQ-UHFFFAOYSA-N
XLogP-0.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
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-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide (CID 3732802) is 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide is CN(C)CCC(=O)NCNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide?
The InChIKey is ITZNMMZPBNAWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-14(2)7-5-10(16)12-9-13-11(17)6-8-15(3)4/h5-9H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide?
3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide has a molecular weight of 244.34 g/mol, XLogP of -0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide is sourced from PubChem (CID 3732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).