N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide

C54H114INPb — CID 173303625

IUPACN,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.I.[PbH2]
InChIInChI=1S/C54H111N.HI.Pb.2H/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;/h4-54H2,1-3H3;1H;;;
InChIKeyGITKKFWUZZKDRA-UHFFFAOYSA-N
MW1111.62 g/mol
LogP19.77
Rot. Bonds51

About N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide

N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide (PubChem CID 173303625) has the molecular formula C54H114INPb and a molecular weight of 1111.62 g/mol. Its IUPAC name is N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide.

Molecular Properties

Compound NameN,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide
PubChem CID173303625
Molecular FormulaC54H114INPb
Molecular Weight1111.62 g/mol
Exact Mass1111.78
IUPAC NameN,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.I.[PbH2]
InChIInChI=1S/C54H111N.HI.Pb.2H/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;/h4-54H2,1-3H3;1H;;;
InChIKeyGITKKFWUZZKDRA-UHFFFAOYSA-N
XLogP19.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds51
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.62
LogP ≤ 519.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide?
The IUPAC name of N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide (CID 173303625) is N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide.
What is the SMILES notation for N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide?
The canonical SMILES for N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.I.[PbH2].
What is the InChIKey of N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide?
The InChIKey is GITKKFWUZZKDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H111N.HI.Pb.2H/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;/h4-54H2,1-3H3;1H;;;.
What are the key properties of N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide?
N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide has a molecular weight of 1111.62 g/mol, XLogP of 19.77, 51 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctadecyloctadecan-1-amine;λ2-plumbane;hydroiodide is sourced from PubChem (CID 173303625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).