cyclonona-1,3-diene-1-carboximidamide

C10H16N2 — CID 123709241

IUPACcyclonona-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CCCCCC1
InChIInChI=1S/C10H16N2/c11-10(12)9-7-5-3-1-2-4-6-8-9/h3,5,7H,1-2,4,6,8H2,(H3,11,12)
InChIKeyYCMHDISOSMUBBW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.37
Rot. Bonds1

About cyclonona-1,3-diene-1-carboximidamide

cyclonona-1,3-diene-1-carboximidamide (PubChem CID 123709241) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is cyclonona-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Namecyclonona-1,3-diene-1-carboximidamide
PubChem CID123709241
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Namecyclonona-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CCCCCC1
InChIInChI=1S/C10H16N2/c11-10(12)9-7-5-3-1-2-4-6-8-9/h3,5,7H,1-2,4,6,8H2,(H3,11,12)
InChIKeyYCMHDISOSMUBBW-UHFFFAOYSA-N
XLogP2.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-Carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide
CID 59509320
4-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 89378274
Cyclohexa-1,3-diene-1-carboximidamide
CID 91258250
(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide
CID 129299695
2-Methyl-6-methylidenecyclohexene-1-carboximidamide
CID 146516385
2-But-1-enyldeca-2,4-dienimidamide
CID 154062063
4-Propylcyclohexa-1,3-diene-1-carboximidamide
CID 156081495
2-Methylundec-2-enimidamide
CID 159441486
(2Z,3E,5Z)-2-butan-2-ylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide
CID 173697020
N-[(E)-1-amino-2-ethenylbut-2-enylidene]cyclohexene-1-carboximidamide
CID 174316085

Frequently Asked Questions

What is the IUPAC name of cyclonona-1,3-diene-1-carboximidamide?
The IUPAC name of cyclonona-1,3-diene-1-carboximidamide (CID 123709241) is cyclonona-1,3-diene-1-carboximidamide.
What is the SMILES notation for cyclonona-1,3-diene-1-carboximidamide?
The canonical SMILES for cyclonona-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=CCCCCC1.
What is the InChIKey of cyclonona-1,3-diene-1-carboximidamide?
The InChIKey is YCMHDISOSMUBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-10(12)9-7-5-3-1-2-4-6-8-9/h3,5,7H,1-2,4,6,8H2,(H3,11,12).
What are the key properties of cyclonona-1,3-diene-1-carboximidamide?
cyclonona-1,3-diene-1-carboximidamide has a molecular weight of 164.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclonona-1,3-diene-1-carboximidamide is sourced from PubChem (CID 123709241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).