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

C78H161N27O12 — CID 10796636

IUPACN-(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
SMILESNCCCNC(=O)CCN(CCCNC(=O)CCN(CCCNCCCN(CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN
InChIInChI=1S/C78H161N27O12/c79-27-1-37-88-67(106)15-59-102(60-16-68(107)89-38-2-28-80)51-11-45-96-75(114)23-55-100(56-24-76(115)97-46-12-52-103(61-17-69(108)90-39-3-29-81)62-18-70(109)91-40-4-30-82)49-9-35-87-36-10-50-101(57-25-77(116)98-47-13-53-104(63-19-71(110)92-41-5-31-83)64-20-72(111)93-42-6-32-84)58-26-78(117)99-48-14-54-105(65-21-73(112)94-43-7-33-85)66-22-74(113)95-44-8-34-86/h87H,1-66,79-86H2,(H,88,106)(H,89,107)(H,90,108)(H,91,109)(H,92,110)(H,93,111)(H,94,112)(H,95,113)(H,96,114)(H,97,115)(H,98,116)(H,99,117)
InChIKeyFHEBSQJOTBFJLA-UHFFFAOYSA-N
MW1669.32 g/mol
LogP-6.41
Rot. Bonds84

About 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

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 (PubChem CID 10796636) has the molecular formula C78H161N27O12 and a molecular weight of 1669.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID10796636
Molecular FormulaC78H161N27O12
Molecular Weight1669.32 g/mol
Exact Mass1668.28
IUPAC NameN-(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
SMILESNCCCNC(=O)CCN(CCCNC(=O)CCN(CCCNCCCN(CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN
InChIInChI=1S/C78H161N27O12/c79-27-1-37-88-67(106)15-59-102(60-16-68(107)89-38-2-28-80)51-11-45-96-75(114)23-55-100(56-24-76(115)97-46-12-52-103(61-17-69(108)90-39-3-29-81)62-18-70(109)91-40-4-30-82)49-9-35-87-36-10-50-101(57-25-77(116)98-47-13-53-104(63-19-71(110)92-41-5-31-83)64-20-72(111)93-42-6-32-84)58-26-78(117)99-48-14-54-105(65-21-73(112)94-43-7-33-85)66-22-74(113)95-44-8-34-86/h87H,1-66,79-86H2,(H,88,106)(H,89,107)(H,90,108)(H,91,109)(H,92,110)(H,93,111)(H,94,112)(H,95,113)(H,96,114)(H,97,115)(H,98,116)(H,99,117)
InChIKeyFHEBSQJOTBFJLA-UHFFFAOYSA-N
XLogP-6.41
TPSA588.83 Ų
H-Bond Donors21
H-Bond Acceptors27
Rotatable Bonds84
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.32
LogP ≤ 5-6.41
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
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
methyl 3-[3-[3-[3-[3-[bis[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propylamino]propyl-[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propanoylamino]propyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 11804507
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
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
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
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
CID 132559980
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(3-dimethylsilylpropyl)amino]propanamide
CID 71427849

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCCCNC(=O)CCN(CCCNC(=O)CCN(CCCNCCCN(CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN.
What is the InChIKey of 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?
The InChIKey is FHEBSQJOTBFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H161N27O12/c79-27-1-37-88-67(106)15-59-102(60-16-68(107)89-38-2-28-80)51-11-45-96-75(114)23-55-100(56-24-76(115)97-46-12-52-103(61-17-69(108)90-39-3-29-81)62-18-70(109)91-40-4-30-82)49-9-35-87-36-10-50-101(57-25-77(116)98-47-13-53-104(63-19-71(110)92-41-5-31-83)64-20-72(111)93-42-6-32-84)58-26-78(117)99-48-14-54-105(65-21-73(112)94-43-7-33-85)66-22-74(113)95-44-8-34-86/h87H,1-66,79-86H2,(H,88,106)(H,89,107)(H,90,108)(H,91,109)(H,92,110)(H,93,111)(H,94,112)(H,95,113)(H,96,114)(H,97,115)(H,98,116)(H,99,117).
What are the key properties of 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?
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 has a molecular weight of 1669.32 g/mol, XLogP of -6.41, 84 rotatable bonds, 21 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10796636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).