N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine

C92H169N5 — CID 123931181

IUPACN-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
SMILESCCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)N(C)CCCCC1CCNC(N2CC(CCCN(C)C(CCCCCCCCC=CCC=CCCCCC)CCCCCCCCC=CCC=CCCCCC)=NC2C)C1
InChIInChI=1S/C92H169N5/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-77-90(78-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)95(6)83-73-72-75-88-81-82-93-92(85-88)97-86-89(94-87(97)5)76-74-84-96(7)91(79-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)80-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4/h24-31,36-43,87-88,90-93H,8-23,32-35,44-86H2,1-7H3
InChIKeyNVMMOLQRLLHSTG-UHFFFAOYSA-N
MW1345.40 g/mol
LogP28.78
Rot. Bonds72

About N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine

N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine (PubChem CID 123931181) has the molecular formula C92H169N5 and a molecular weight of 1345.40 g/mol. Its IUPAC name is N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine.

Molecular Properties

Compound NameN-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
PubChem CID123931181
Molecular FormulaC92H169N5
Molecular Weight1345.40 g/mol
Exact Mass1344.34
IUPAC NameN-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
SMILESCCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)N(C)CCCCC1CCNC(N2CC(CCCN(C)C(CCCCCCCCC=CCC=CCCCCC)CCCCCCCCC=CCC=CCCCCC)=NC2C)C1
InChIInChI=1S/C92H169N5/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-77-90(78-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)95(6)83-73-72-75-88-81-82-93-92(85-88)97-86-89(94-87(97)5)76-74-84-96(7)91(79-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)80-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4/h24-31,36-43,87-88,90-93H,8-23,32-35,44-86H2,1-7H3
InChIKeyNVMMOLQRLLHSTG-UHFFFAOYSA-N
XLogP28.78
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds72
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.40
LogP ≤ 528.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine with MolForge

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Related Compounds

N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine
CID 90944264
N-[4-[2-[4-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]imidazolidin-1-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
CID 123873821
(6Z,9Z,28Z,31Z)-N-[4-[2-[4-[3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]-methylamino]propyl]imidazolidin-1-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
CID 144721865
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
CID 144787952

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine?
The IUPAC name of N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine (CID 123931181) is N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine.
What is the SMILES notation for N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine?
The canonical SMILES for N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine is CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)N(C)CCCCC1CCNC(N2CC(CCCN(C)C(CCCCCCCCC=CCC=CCCCCC)CCCCCCCCC=CCC=CCCCCC)=NC2C)C1.
What is the InChIKey of N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine?
The InChIKey is NVMMOLQRLLHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H169N5/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-77-90(78-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)95(6)83-73-72-75-88-81-82-93-92(85-88)97-86-89(94-87(97)5)76-74-84-96(7)91(79-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)80-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4/h24-31,36-43,87-88,90-93H,8-23,32-35,44-86H2,1-7H3.
What are the key properties of N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine?
N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine has a molecular weight of 1345.40 g/mol, XLogP of 28.78, 72 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine is sourced from PubChem (CID 123931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).