N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine

C71H149N5 — CID 150336952

IUPACN'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
SMILESCCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C71H149N5/c1-8-15-22-29-36-43-50-57-72(58-51-44-37-30-23-16-9-2)64-66-74(61-54-47-40-33-26-19-12-5)68-70-76(63-56-49-42-35-28-21-14-7)71-69-75(62-55-48-41-34-27-20-13-6)67-65-73(59-52-45-38-31-24-17-10-3)60-53-46-39-32-25-18-11-4/h8-71H2,1-7H3
InChIKeyGQWMEVJCAAUPNG-UHFFFAOYSA-N
MW1073.01 g/mol
LogP21.75
Rot. Bonds68

About N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine

N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine (PubChem CID 150336952) has the molecular formula C71H149N5 and a molecular weight of 1073.01 g/mol. Its IUPAC name is N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
PubChem CID150336952
Molecular FormulaC71H149N5
Molecular Weight1073.01 g/mol
Exact Mass1072.18
IUPAC NameN'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
SMILESCCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C71H149N5/c1-8-15-22-29-36-43-50-57-72(58-51-44-37-30-23-16-9-2)64-66-74(61-54-47-40-33-26-19-12-5)68-70-76(63-56-49-42-35-28-21-14-7)71-69-75(62-55-48-41-34-27-20-13-6)67-65-73(59-52-45-38-31-24-17-10-3)60-53-46-39-32-25-18-11-4/h8-71H2,1-7H3
InChIKeyGQWMEVJCAAUPNG-UHFFFAOYSA-N
XLogP21.75
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds68
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.01
LogP ≤ 521.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dioctylamino)ethyl]-N,N,N'-trioctylethane-1,2-diamine
CID 88792615
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine (CID 150336952) is N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine is CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine?
The InChIKey is GQWMEVJCAAUPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H149N5/c1-8-15-22-29-36-43-50-57-72(58-51-44-37-30-23-16-9-2)64-66-74(61-54-47-40-33-26-19-12-5)68-70-76(63-56-49-42-35-28-21-14-7)71-69-75(62-55-48-41-34-27-20-13-6)67-65-73(59-52-45-38-31-24-17-10-3)60-53-46-39-32-25-18-11-4/h8-71H2,1-7H3.
What are the key properties of N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine?
N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine has a molecular weight of 1073.01 g/mol, XLogP of 21.75, 68 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine is sourced from PubChem (CID 150336952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).