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

C17H38N4O — CID 87989478

IUPAC3-[bis[3-(diethylamino)propyl]amino]propanamide
SMILESCCN(CC)CCCN(CCCN(CC)CC)CCC(N)=O
InChIInChI=1S/C17H38N4O/c1-5-19(6-2)12-9-14-21(16-11-17(18)22)15-10-13-20(7-3)8-4/h5-16H2,1-4H3,(H2,18,22)
InChIKeyLYSUAFZSWRGTQB-UHFFFAOYSA-N
MW314.52 g/mol
LogP1.63
Rot. Bonds15

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

3-[bis[3-(diethylamino)propyl]amino]propanamide (PubChem CID 87989478) has the molecular formula C17H38N4O and a molecular weight of 314.52 g/mol. Its IUPAC name is 3-[bis[3-(diethylamino)propyl]amino]propanamide.

Molecular Properties

Compound Name3-[bis[3-(diethylamino)propyl]amino]propanamide
PubChem CID87989478
Molecular FormulaC17H38N4O
Molecular Weight314.52 g/mol
Exact Mass314.30
IUPAC Name3-[bis[3-(diethylamino)propyl]amino]propanamide
SMILESCCN(CC)CCCN(CCCN(CC)CC)CCC(N)=O
InChIInChI=1S/C17H38N4O/c1-5-19(6-2)12-9-14-21(16-11-17(18)22)15-10-13-20(7-3)8-4/h5-16H2,1-4H3,(H2,18,22)
InChIKeyLYSUAFZSWRGTQB-UHFFFAOYSA-N
XLogP1.63
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
3-[ethyl(2-hydroxyethyl)amino]propanamide
CID 39248219
3-[bis(3-aminopropyl)amino]propanamide
CID 88922422
4-(dibutylamino)butanamide
CID 57071614
4-[ethyl(pentyl)amino]butanamide
CID 57048694
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827

Frequently Asked Questions

What is the IUPAC name of 3-[bis[3-(diethylamino)propyl]amino]propanamide?
The IUPAC name of 3-[bis[3-(diethylamino)propyl]amino]propanamide (CID 87989478) is 3-[bis[3-(diethylamino)propyl]amino]propanamide.
What is the SMILES notation for 3-[bis[3-(diethylamino)propyl]amino]propanamide?
The canonical SMILES for 3-[bis[3-(diethylamino)propyl]amino]propanamide is CCN(CC)CCCN(CCCN(CC)CC)CCC(N)=O.
What is the InChIKey of 3-[bis[3-(diethylamino)propyl]amino]propanamide?
The InChIKey is LYSUAFZSWRGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O/c1-5-19(6-2)12-9-14-21(16-11-17(18)22)15-10-13-20(7-3)8-4/h5-16H2,1-4H3,(H2,18,22).
What are the key properties of 3-[bis[3-(diethylamino)propyl]amino]propanamide?
3-[bis[3-(diethylamino)propyl]amino]propanamide has a molecular weight of 314.52 g/mol, XLogP of 1.63, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[3-(diethylamino)propyl]amino]propanamide is sourced from PubChem (CID 87989478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).