3-[bis[3-(dimethylamino)propyl]amino]propanamide

C13H30N4O — CID 3097429

IUPAC3-[bis[3-(dimethylamino)propyl]amino]propanamide
SMILESCN(C)CCCN(CCCN(C)C)CCC(N)=O
InChIInChI=1S/C13H30N4O/c1-15(2)8-5-10-17(12-7-13(14)18)11-6-9-16(3)4/h5-12H2,1-4H3,(H2,14,18)
InChIKeyDIJRQOMXALAFBU-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.07
Rot. Bonds11

About 3-[bis[3-(dimethylamino)propyl]amino]propanamide

3-[bis[3-(dimethylamino)propyl]amino]propanamide (PubChem CID 3097429) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[bis[3-(dimethylamino)propyl]amino]propanamide.

Molecular Properties

Compound Name3-[bis[3-(dimethylamino)propyl]amino]propanamide
PubChem CID3097429
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name3-[bis[3-(dimethylamino)propyl]amino]propanamide
SMILESCN(C)CCCN(CCCN(C)C)CCC(N)=O
InChIInChI=1S/C13H30N4O/c1-15(2)8-5-10-17(12-7-13(14)18)11-6-9-16(3)4/h5-12H2,1-4H3,(H2,14,18)
InChIKeyDIJRQOMXALAFBU-UHFFFAOYSA-N
XLogP0.07
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[3-(dimethylamino)propyl]amino]propanamide?
The IUPAC name of 3-[bis[3-(dimethylamino)propyl]amino]propanamide (CID 3097429) is 3-[bis[3-(dimethylamino)propyl]amino]propanamide.
What is the SMILES notation for 3-[bis[3-(dimethylamino)propyl]amino]propanamide?
The canonical SMILES for 3-[bis[3-(dimethylamino)propyl]amino]propanamide is CN(C)CCCN(CCCN(C)C)CCC(N)=O.
What is the InChIKey of 3-[bis[3-(dimethylamino)propyl]amino]propanamide?
The InChIKey is DIJRQOMXALAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-15(2)8-5-10-17(12-7-13(14)18)11-6-9-16(3)4/h5-12H2,1-4H3,(H2,14,18).
What are the key properties of 3-[bis[3-(dimethylamino)propyl]amino]propanamide?
3-[bis[3-(dimethylamino)propyl]amino]propanamide has a molecular weight of 258.41 g/mol, XLogP of 0.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[3-(dimethylamino)propyl]amino]propanamide is sourced from PubChem (CID 3097429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).