O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane

C78H160N6O6 — CID 159464371

IUPACO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane
SMILESC.CC1C=CC(CCCCCCCCOO)C(/C=C\CCCCCCCCOO)C1C.CCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC.CCCN(C)C.CN(C)CCCN
InChIInChI=1S/C41H81N3O2.C26H48O4.C5H14N2.C5H13N.CH4/c1-5-7-9-21-28-38-32-33-39(29-22-17-14-16-20-26-37-46-43-34-27-35-44(3)4)41(40(38)30-23-10-8-6-2)31-24-18-13-11-12-15-19-25-36-45-42;1-23-19-20-25(17-13-9-6-8-12-16-22-30-28)26(24(23)2)18-14-10-5-3-4-7-11-15-21-29-27;1-7(2)5-3-4-6;1-4-5-6(2)3;/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3;14,18-20,23-28H,3-13,15-17,21-22H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3;1H4/b31-24+;18-14-;;;
InChIKeyLUZMISMBYPHYHR-DGRFDNALSA-N
MW1278.17 g/mol
LogP20.89
Rot. Bonds58

About O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane

O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane (PubChem CID 159464371) has the molecular formula C78H160N6O6 and a molecular weight of 1278.17 g/mol. Its IUPAC name is O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane.

Molecular Properties

Compound NameO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane
PubChem CID159464371
Molecular FormulaC78H160N6O6
Molecular Weight1278.17 g/mol
Exact Mass1277.24
IUPAC NameO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane
SMILESC.CC1C=CC(CCCCCCCCOO)C(/C=C\CCCCCCCCOO)C1C.CCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC.CCCN(C)C.CN(C)CCCN
InChIInChI=1S/C41H81N3O2.C26H48O4.C5H14N2.C5H13N.CH4/c1-5-7-9-21-28-38-32-33-39(29-22-17-14-16-20-26-37-46-43-34-27-35-44(3)4)41(40(38)30-23-10-8-6-2)31-24-18-13-11-12-15-19-25-36-45-42;1-23-19-20-25(17-13-9-6-8-12-16-22-30-28)26(24(23)2)18-14-10-5-3-4-7-11-15-21-29-27;1-7(2)5-3-4-6;1-4-5-6(2)3;/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3;14,18-20,23-28H,3-13,15-17,21-22H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3;1H4/b31-24+;18-14-;;;
InChIKeyLUZMISMBYPHYHR-DGRFDNALSA-N
XLogP20.89
TPSA151.17 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds58
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.17
LogP ≤ 520.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane with MolForge

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Launch Full Analysis

Related Compounds

O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 20713238
3-[8-[6-[(Z)-10-amino-10-hydroxydec-1-enyl]-4,5-dihexylcyclohex-2-en-1-yl]octoxyamino]propyl-trimethylazanium
CID 58581943
O-[10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 73700092
O-[10-[(2R)-2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 90830459
N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene
CID 91165426

Frequently Asked Questions

What is the IUPAC name of O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane?
The IUPAC name of O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane (CID 159464371) is O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane.
What is the SMILES notation for O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane?
The canonical SMILES for O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane is C.CC1C=CC(CCCCCCCCOO)C(/C=C\CCCCCCCCOO)C1C.CCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC.CCCN(C)C.CN(C)CCCN.
What is the InChIKey of O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane?
The InChIKey is LUZMISMBYPHYHR-DGRFDNALSA-N. The full InChI is InChI=1S/C41H81N3O2.C26H48O4.C5H14N2.C5H13N.CH4/c1-5-7-9-21-28-38-32-33-39(29-22-17-14-16-20-26-37-46-43-34-27-35-44(3)4)41(40(38)30-23-10-8-6-2)31-24-18-13-11-12-15-19-25-36-45-42;1-23-19-20-25(17-13-9-6-8-12-16-22-30-28)26(24(23)2)18-14-10-5-3-4-7-11-15-21-29-27;1-7(2)5-3-4-6;1-4-5-6(2)3;/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3;14,18-20,23-28H,3-13,15-17,21-22H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3;1H4/b31-24+;18-14-;;;.
What are the key properties of O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane?
O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane has a molecular weight of 1278.17 g/mol, XLogP of 20.89, 58 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine;N,N-dimethylpropan-1-amine;N',N'-dimethylpropane-1,3-diamine;4-[(Z)-10-hydroperoxydec-1-enyl]-3-(8-hydroperoxyoctyl)-5,6-dimethylcyclohexene;methane is sourced from PubChem (CID 159464371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).