O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine

C41H81N3O2 — CID 20713238

IUPACO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
SMILESCCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC
InChIInChI=1S/C41H81N3O2/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/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3/b31-24+
InChIKeyIIOJNLPGULAFND-QFMPWRQOSA-N
MW648.12 g/mol
LogP11.34
Rot. Bonds34

About O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine

O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine (PubChem CID 20713238) has the molecular formula C41H81N3O2 and a molecular weight of 648.12 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.

Molecular Properties

Compound NameO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
PubChem CID20713238
Molecular FormulaC41H81N3O2
Molecular Weight648.12 g/mol
Exact Mass647.63
IUPAC NameO-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
SMILESCCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC
InChIInChI=1S/C41H81N3O2/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/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3/b31-24+
InChIKeyIIOJNLPGULAFND-QFMPWRQOSA-N
XLogP11.34
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds34
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.12
LogP ≤ 511.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[8-[6-[(Z)-10-amino-10-hydroxydec-1-enyl]-4,5-dihexylcyclohex-2-en-1-yl]octoxyamino]propyl-trimethylazanium
CID 58581943
3-[8-[2-[(Z)-10-amino-10-hydroxydec-1-enyl]-3,4-dihexylcyclohexyl]octoxyamino]propyl-trimethylazanium
CID 58581945
3-[[3,4-dihexyl-5-[(Z)-[2-[[3-(trimethylazaniumyl)propylamino]oxymethyl]cyclooctylidene]methyl]spiro[5.7]tridec-1-en-13-yl]methoxyamino]propyl-trimethylazanium
CID 58823256
O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 59976774
2-[3-[8-[6-[(Z)-10-aminooxydec-1-enyl]-4,5-dihexylcyclohex-2-en-1-yl]octoxyamino]propyl-dimethylazaniumyl]acetate
CID 60055013
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
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
O-[(E)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 20713239
3-aminopropyl-bis[(Z)-icos-11-enoxy]-methylazanium
CID 176124128

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?
The IUPAC name of O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine (CID 20713238) is O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine.
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?
The canonical SMILES for O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine is CCCCCCC1C=CC(CCCCCCCCONCCCN(C)C)C(/C=C/CCCCCCCCON)C1CCCCCC.
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?
The InChIKey is IIOJNLPGULAFND-QFMPWRQOSA-N. The full InChI is InChI=1S/C41H81N3O2/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/h24,31-33,38-41,43H,5-23,25-30,34-37,42H2,1-4H3/b31-24+.
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?
O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine has a molecular weight of 648.12 g/mol, XLogP of 11.34, 34 rotatable bonds, 2 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 20713238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).