(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine

C9H12N2 — CID 101125008

IUPAC(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C=C/C=C/C=C/N
InChIInChI=1S/C9H12N2/c10-8-6-4-2-1-3-5-7-9-11/h1-10H,11H2/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKeyBNRLKKTYTYCPSP-CLQTYQDTSA-N
MW148.21 g/mol
LogP1.78
Rot. Bonds4

About (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine

(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine (PubChem CID 101125008) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine
PubChem CID101125008
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C=C/C=C/C=C/N
InChIInChI=1S/C9H12N2/c10-8-6-4-2-1-3-5-7-9-11/h1-10H,11H2/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKeyBNRLKKTYTYCPSP-CLQTYQDTSA-N
XLogP1.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine with MolForge

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Related Compounds

Nona-2,4,6,8-tetraen-1-imine
CID 71330773
Nona-2,4,6,8-tetraenylideneazanium
CID 91117301
1,7-Diazacyclododeca-1,3,5,7,9,11-hexaene
CID 91264072
Trideca-2,4,5,7,9,11,12-heptaen-1-imine
CID 91276767
Tetraazacyclopentadecine
CID 129777256
[1,4,7]Triazacycloundecin
CID 129814489
(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine
CID 102270681
(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
CID 102270682
(1E,3Z,5E,7Z)-3,7-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
CID 102270683
(1Z,3E,5E,7Z)-2,8-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
CID 102270684
(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine
CID 101125006
(1E,3E,5E,7E,9E)-11-iminoundeca-1,3,5,7,9-pentaen-1-amine
CID 101185002

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine (CID 101125008) is (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine is [H]/N=C/C=C/C=C/C=C/C=C/N.
What is the InChIKey of (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine?
The InChIKey is BNRLKKTYTYCPSP-CLQTYQDTSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-6-4-2-1-3-5-7-9-11/h1-10H,11H2/b2-1+,5-3+,6-4+,9-7+,10-8+.
What are the key properties of (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine?
(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 101125008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).