N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine

C36H67NO — CID 134498270

IUPACN,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(O)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C36H67NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyGGPMQRHQANDUDZ-MAZCIEHSSA-N
MW529.94 g/mol
LogP12.30
Rot. Bonds30

About N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine

N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine (PubChem CID 134498270) has the molecular formula C36H67NO and a molecular weight of 529.94 g/mol. Its IUPAC name is N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine.

Molecular Properties

Compound NameN,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
PubChem CID134498270
Molecular FormulaC36H67NO
Molecular Weight529.94 g/mol
Exact Mass529.52
IUPAC NameN,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(O)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C36H67NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyGGPMQRHQANDUDZ-MAZCIEHSSA-N
XLogP12.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.94
LogP ≤ 512.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]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

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
3-[bis(icosa-11,14-dienyl)amino]propan-1-ol
CID 123864221
2-[[(9Z,12Z)-octadeca-9,12-dienyl]-octylamino]ethanol
CID 155275750
(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
CID 89212218
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
[(9Z,12Z)-octadeca-9,12-dienyl]-octylcarbamic acid
CID 118057935
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The IUPAC name of N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine (CID 134498270) is N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine.
What is the SMILES notation for N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The canonical SMILES for N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine is CCCCC/C=C\C/C=C\CCCCCCCCN(O)CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The InChIKey is GGPMQRHQANDUDZ-MAZCIEHSSA-N. The full InChI is InChI=1S/C36H67NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-.
What are the key properties of N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine has a molecular weight of 529.94 g/mol, XLogP of 12.30, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine is sourced from PubChem (CID 134498270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).