N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide

C15H17N3 — CID 145365910

IUPACN'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
SMILESC/N=C(/N=C(\N)c1ccccc1)C1=CCCC=C1
InChIInChI=1S/C15H17N3/c1-17-15(13-10-6-3-7-11-13)18-14(16)12-8-4-2-5-9-12/h2,4-6,8-11H,3,7H2,1H3,(H2,16,17,18)
InChIKeyPSFHKVBXOAPGKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.70
Rot. Bonds2

About N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide

N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide (PubChem CID 145365910) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
PubChem CID145365910
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
SMILESC/N=C(/N=C(\N)c1ccccc1)C1=CCCC=C1
InChIInChI=1S/C15H17N3/c1-17-15(13-10-6-3-7-11-13)18-14(16)12-8-4-2-5-9-12/h2,4-6,8-11H,3,7H2,1H3,(H2,16,17,18)
InChIKeyPSFHKVBXOAPGKW-UHFFFAOYSA-N
XLogP2.70
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
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

1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 144914796
(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine
CID 144995252
2-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]propanedinitrile
CID 143467248
ethene;N'-methylbenzenecarboximidamide
CID 142294327
1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
CID 140884240
N-[cyclohexa-1,5-dien-1-yl-[1-iodoethyl(methyl)amino]methylidene]benzenecarboximidamide
CID 126699904
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671
[amino(phenyl)methylidene]carbamic acid
CID 54409873
N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
CID 175731651
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
N'-methoxybenzenecarboximidamide
CID 10678407

Frequently Asked Questions

What is the IUPAC name of N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide?
The IUPAC name of N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide (CID 145365910) is N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide.
What is the SMILES notation for N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide?
The canonical SMILES for N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide is C/N=C(/N=C(\N)c1ccccc1)C1=CCCC=C1.
What is the InChIKey of N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide?
The InChIKey is PSFHKVBXOAPGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-17-15(13-10-6-3-7-11-13)18-14(16)12-8-4-2-5-9-12/h2,4-6,8-11H,3,7H2,1H3,(H2,16,17,18).
What are the key properties of N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide?
N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide is sourced from PubChem (CID 145365910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).