9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium

C10H15N2+ — CID 59061811

IUPAC9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium
SMILES[2H]NC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C10H14N2/c1-12-10-8-6-4-2-3-5-7-9-11/h2-10H,11H2,1H3/p+1/b4-2?,5-3?,8-6?,9-7?,12-10+/i/hD
InChIKeyGAOLBYADRBULQN-FDGHMIMUSA-O
MW164.25 g/mol
LogP-0.09
Rot. Bonds5

About 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium

9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium (PubChem CID 59061811) has the molecular formula C10H15N2+ and a molecular weight of 164.25 g/mol. Its IUPAC name is 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium.

Molecular Properties

Compound Name9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium
PubChem CID59061811
Molecular FormulaC10H15N2+
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium
SMILES[2H]NC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C10H14N2/c1-12-10-8-6-4-2-3-5-7-9-11/h2-10H,11H2,1H3/p+1/b4-2?,5-3?,8-6?,9-7?,12-10+/i/hD
InChIKeyGAOLBYADRBULQN-FDGHMIMUSA-O
XLogP-0.09
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium?
The IUPAC name of 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium (CID 59061811) is 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium.
What is the SMILES notation for 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium?
The canonical SMILES for 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium is [2H]NC=CC=CC=CC=C/C=[NH+]/C.
What is the InChIKey of 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium?
The InChIKey is GAOLBYADRBULQN-FDGHMIMUSA-O. The full InChI is InChI=1S/C10H14N2/c1-12-10-8-6-4-2-3-5-7-9-11/h2-10H,11H2,1H3/p+1/b4-2?,5-3?,8-6?,9-7?,12-10+/i/hD.
What are the key properties of 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium?
9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium has a molecular weight of 164.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium is sourced from PubChem (CID 59061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).