1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide

C9H14N2 — CID 158221588

IUPAC1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=C(C)C=CC1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyGDHPVQATAYEXBS-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds1

About 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide

1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 158221588) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID158221588
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=C(C)C=CC1
InChIInChI=1S/C9H14N2/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyGDHPVQATAYEXBS-UHFFFAOYSA-N
XLogP1.83
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
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

CID 586884
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CID 145092953
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CID 170147171
CID 170147171
CID 173187431
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CID 173214153
CID 173214153
CID 152680541
CID 152680541
CID 118641895
CID 118641895
CID 140451677
CID 140451677
CID 140991802
CID 140991802
CID 141965014
CID 141965014
CID 141972524
CID 141972524
CID 142784985
CID 142784985

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide (CID 158221588) is 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(C)C=C(C)C=CC1.
What is the InChIKey of 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is GDHPVQATAYEXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H3,10,11).
What are the key properties of 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide?
1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 150.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 158221588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).