1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane

C80H168N6 — CID 150495095

IUPAC1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane
SMILESCCCCCCCCCCN(CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C80H168N6/c1-9-17-25-33-41-49-57-65-73-81(74-66-58-50-42-34-26-18-10-2)85(82(75-67-59-51-43-35-27-19-11-3)76-68-60-52-44-36-28-20-12-4)86(83(77-69-61-53-45-37-29-21-13-5)78-70-62-54-46-38-30-22-14-6)84(79-71-63-55-47-39-31-23-15-7)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3
InChIKeyHWPSTYGZPXGBNL-UHFFFAOYSA-N
MW1214.27 g/mol
LogP27.50
Rot. Bonds77

About 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane

1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane (PubChem CID 150495095) has the molecular formula C80H168N6 and a molecular weight of 1214.27 g/mol. Its IUPAC name is 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane.

Molecular Properties

Compound Name1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane
PubChem CID150495095
Molecular FormulaC80H168N6
Molecular Weight1214.27 g/mol
Exact Mass1213.33
IUPAC Name1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane
SMILESCCCCCCCCCCN(CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C80H168N6/c1-9-17-25-33-41-49-57-65-73-81(74-66-58-50-42-34-26-18-10-2)85(82(75-67-59-51-43-35-27-19-11-3)76-68-60-52-44-36-28-20-12-4)86(83(77-69-61-53-45-37-29-21-13-5)78-70-62-54-46-38-30-22-14-6)84(79-71-63-55-47-39-31-23-15-7)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3
InChIKeyHWPSTYGZPXGBNL-UHFFFAOYSA-N
XLogP27.50
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds77
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.27
LogP ≤ 527.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane?
The IUPAC name of 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane (CID 150495095) is 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane.
What is the SMILES notation for 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane?
The canonical SMILES for 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane is CCCCCCCCCCN(CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(N(CCCCCCCCCC)CCCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane?
The InChIKey is HWPSTYGZPXGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H168N6/c1-9-17-25-33-41-49-57-65-73-81(74-66-58-50-42-34-26-18-10-2)85(82(75-67-59-51-43-35-27-19-11-3)76-68-60-52-44-36-28-20-12-4)86(83(77-69-61-53-45-37-29-21-13-5)78-70-62-54-46-38-30-22-14-6)84(79-71-63-55-47-39-31-23-15-7)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3.
What are the key properties of 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane?
1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane has a molecular weight of 1214.27 g/mol, XLogP of 27.50, 77 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane is sourced from PubChem (CID 150495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).