3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide

C16H36N6O2 — CID 71362529

IUPAC3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
SMILESNCCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN
InChIInChI=1S/C16H36N6O2/c17-7-1-2-12-22(13-5-15(23)20-10-3-8-18)14-6-16(24)21-11-4-9-19/h1-14,17-19H2,(H,20,23)(H,21,24)
InChIKeyADQAQCJGSZAUHQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP-1.26
Rot. Bonds16

About 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide

3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide (PubChem CID 71362529) has the molecular formula C16H36N6O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide.

Molecular Properties

Compound Name3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
PubChem CID71362529
Molecular FormulaC16H36N6O2
Molecular Weight344.50 g/mol
Exact Mass344.29
IUPAC Name3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
SMILESNCCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN
InChIInChI=1S/C16H36N6O2/c17-7-1-2-12-22(13-5-15(23)20-10-3-8-18)14-6-16(24)21-11-4-9-19/h1-14,17-19H2,(H,20,23)(H,21,24)
InChIKeyADQAQCJGSZAUHQ-UHFFFAOYSA-N
XLogP-1.26
TPSA139.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[3-[[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]-[3-[3-[bis[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]amino]propylamino]propyl]amino]propanoylamino]propyl]amino]propanamide
CID 10796636
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(3-dimethylsilylpropyl)amino]propanamide
CID 71427849
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]amino]propanoylamino]ethyl]amino]propanamide
CID 101243782
3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
CID 123789929

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide?
The IUPAC name of 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide (CID 71362529) is 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide.
What is the SMILES notation for 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide?
The canonical SMILES for 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide is NCCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN.
What is the InChIKey of 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide?
The InChIKey is ADQAQCJGSZAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N6O2/c17-7-1-2-12-22(13-5-15(23)20-10-3-8-18)14-6-16(24)21-11-4-9-19/h1-14,17-19H2,(H,20,23)(H,21,24).
What are the key properties of 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide?
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of -1.26, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide is sourced from PubChem (CID 71362529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).