3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide

C15H34N4O — CID 102996641

IUPAC3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
SMILESCCCNC(CN(CC)CCCN(CC)CC)C(N)=O
InChIInChI=1S/C15H34N4O/c1-5-10-17-14(15(16)20)13-19(8-4)12-9-11-18(6-2)7-3/h14,17H,5-13H2,1-4H3,(H2,16,20)
InChIKeyYIFSSMIHJJIIBN-UHFFFAOYSA-N
MW286.46 g/mol
LogP0.89
Rot. Bonds13

About 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide

3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide (PubChem CID 102996641) has the molecular formula C15H34N4O and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
PubChem CID102996641
Molecular FormulaC15H34N4O
Molecular Weight286.46 g/mol
Exact Mass286.27
IUPAC Name3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
SMILESCCCNC(CN(CC)CCCN(CC)CC)C(N)=O
InChIInChI=1S/C15H34N4O/c1-5-10-17-14(15(16)20)13-19(8-4)12-9-11-18(6-2)7-3/h14,17H,5-13H2,1-4H3,(H2,16,20)
InChIKeyYIFSSMIHJJIIBN-UHFFFAOYSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
CID 63690176
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 55228271
3-azido-2-[2-(diethylamino)ethylamino]propanamide
CID 66429641
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179
4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
CID 63053089
methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide?
The IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide (CID 102996641) is 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide.
What is the SMILES notation for 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide?
The canonical SMILES for 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide is CCCNC(CN(CC)CCCN(CC)CC)C(N)=O.
What is the InChIKey of 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide?
The InChIKey is YIFSSMIHJJIIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O/c1-5-10-17-14(15(16)20)13-19(8-4)12-9-11-18(6-2)7-3/h14,17H,5-13H2,1-4H3,(H2,16,20).
What are the key properties of 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide?
3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide has a molecular weight of 286.46 g/mol, XLogP of 0.89, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide is sourced from PubChem (CID 102996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).