N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide

C13H27N3O — CID 55098346

IUPACN-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
SMILESCCN(CC)CCCNCCC(=O)NC1CC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-5-9-14-10-8-13(17)15-12-6-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyNMDHYUVGZBUFGN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds10

About N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide

N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide (PubChem CID 55098346) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
PubChem CID55098346
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
SMILESCCN(CC)CCCNCCC(=O)NC1CC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-5-9-14-10-8-13(17)15-12-6-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyNMDHYUVGZBUFGN-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide (CID 55098346) is N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide is CCN(CC)CCCNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide?
The InChIKey is NMDHYUVGZBUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(4-2)11-5-9-14-10-8-13(17)15-12-6-7-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide?
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide is sourced from PubChem (CID 55098346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).