9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine

C33H65N3 — CID 168879558

IUPAC9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine
SMILESC=C/C(=N\C(C)=C/C)C(CCCCCCCN)N(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C33H65N3/c1-6-10-12-14-16-21-25-29-36(30-26-22-17-15-13-11-7-2)33(27-23-19-18-20-24-28-34)32(9-4)35-31(5)8-3/h8-9,33H,4,6-7,10-30,34H2,1-3,5H3/b31-8-,35-32+
InChIKeyXUFVFEPEFUSBGX-GFSNULSPSA-N
MW503.90 g/mol
LogP10.01
Rot. Bonds27

About 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine

9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine (PubChem CID 168879558) has the molecular formula C33H65N3 and a molecular weight of 503.90 g/mol. Its IUPAC name is 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine.

Molecular Properties

Compound Name9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine
PubChem CID168879558
Molecular FormulaC33H65N3
Molecular Weight503.90 g/mol
Exact Mass503.52
IUPAC Name9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine
SMILESC=C/C(=N\C(C)=C/C)C(CCCCCCCN)N(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C33H65N3/c1-6-10-12-14-16-21-25-29-36(30-26-22-17-15-13-11-7-2)33(27-23-19-18-20-24-28-34)32(9-4)35-31(5)8-3/h8-9,33H,4,6-7,10-30,34H2,1-3,5H3/b31-8-,35-32+
InChIKeyXUFVFEPEFUSBGX-GFSNULSPSA-N
XLogP10.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine with MolForge

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Related Compounds

(E)-N-[3-[(2Z)-1-nonylidene-1-azoniacycloundec-2-en-2-yl]propyl]octadec-9-en-1-amine
CID 59858142
4-cycloundecylimino-N-propylcyclobut-2-en-1-amine
CID 91140505
(6Z,9Z,28Z,31Z)-N-[3-(3H-pyrrol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754039
(6Z,9Z,28Z,31Z)-N-[4-(3H-pyrrol-5-yl)butyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754041
N'-heptatriaconta-6,9,28,31-tetraen-19-yl-2-methyliminobutane-1,4-diamine
CID 123916330
1-[10-(4-imino-6-octyl-2,3-dihydropyridin-1-yl)decyl]-N-octylpyridin-4-imine
CID 123992192
9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine;(3Z,5E)-2,6-dimethylocta-1,3,5-triene
CID 168879557
N-butan-2-yltetradec-1-en-2-amine;ethane;(E)-5-ethyl-7-methylidenetetradec-4-en-6-imine;methane
CID 172567519

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine?
The IUPAC name of 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine (CID 168879558) is 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine.
What is the SMILES notation for 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine?
The canonical SMILES for 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine is C=C/C(=N\C(C)=C/C)C(CCCCCCCN)N(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine?
The InChIKey is XUFVFEPEFUSBGX-GFSNULSPSA-N. The full InChI is InChI=1S/C33H65N3/c1-6-10-12-14-16-21-25-29-36(30-26-22-17-15-13-11-7-2)33(27-23-19-18-20-24-28-34)32(9-4)35-31(5)8-3/h8-9,33H,4,6-7,10-30,34H2,1-3,5H3/b31-8-,35-32+.
What are the key properties of 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine?
9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine has a molecular weight of 503.90 g/mol, XLogP of 10.01, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine is sourced from PubChem (CID 168879558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).