8-iminonona-3,5-dien-2-amine

C9H16N2 — CID 90857903

IUPAC8-iminonona-3,5-dien-2-amine
SMILES[H]/N=C(\C)CC=CC=CC(C)N
InChIInChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-6,8,11H,7,10H2,1-2H3/b5-3?,6-4?,11-9+
InChIKeyKUDXAJRHOZGHBU-UBYCCQIKSA-N
MW152.24 g/mol
LogP1.88
Rot. Bonds4

About 8-iminonona-3,5-dien-2-amine

8-iminonona-3,5-dien-2-amine (PubChem CID 90857903) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 8-iminonona-3,5-dien-2-amine.

Molecular Properties

Compound Name8-iminonona-3,5-dien-2-amine
PubChem CID90857903
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name8-iminonona-3,5-dien-2-amine
SMILES[H]/N=C(\C)CC=CC=CC(C)N
InChIInChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-6,8,11H,7,10H2,1-2H3/b5-3?,6-4?,11-9+
InChIKeyKUDXAJRHOZGHBU-UBYCCQIKSA-N
XLogP1.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.88
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'}

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Related Compounds

(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 89074092
1-Cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
CID 91298887
6-Iminocyclohexa-2,4-dien-1-amine
CID 102383572
N-[(1R)-6-iminocyclohexa-2,4-dien-1-yl]thiohydroxylamine
CID 117943590
(Z)-4-iminohex-2-en-1-amine
CID 123506377
(2R,4Z,6Z)-3-iminoocta-4,6-dien-2-amine
CID 124088764
6-Imino-4-methylcyclohexa-2,4-dien-1-amine
CID 124142706
(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine
CID 138702940
(E,3E)-3-(2-iminopropylidene)-6-methylhept-4-en-2-amine
CID 138703017
(1S)-6-iminocyclohexa-2,4-dien-1-amine
CID 139564114
(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine
CID 142119048
1-(3,4-Diiminocyclohexa-1,5-dien-1-yl)ethanamine
CID 142433052

Frequently Asked Questions

What is the IUPAC name of 8-iminonona-3,5-dien-2-amine?
The IUPAC name of 8-iminonona-3,5-dien-2-amine (CID 90857903) is 8-iminonona-3,5-dien-2-amine.
What is the SMILES notation for 8-iminonona-3,5-dien-2-amine?
The canonical SMILES for 8-iminonona-3,5-dien-2-amine is [H]/N=C(\C)CC=CC=CC(C)N.
What is the InChIKey of 8-iminonona-3,5-dien-2-amine?
The InChIKey is KUDXAJRHOZGHBU-UBYCCQIKSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-6,8,11H,7,10H2,1-2H3/b5-3?,6-4?,11-9+.
What are the key properties of 8-iminonona-3,5-dien-2-amine?
8-iminonona-3,5-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iminonona-3,5-dien-2-amine is sourced from PubChem (CID 90857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).