4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide

C14H16N2 — CID 118584614

IUPAC4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=CC(C)CC=C2)cc1
InChIInChI=1S/C14H16N2/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h2,4-10H,3H2,1H3,(H3,15,16)
InChIKeyHGJKWBIUIQKBKR-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.95
Rot. Bonds2

About 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide

4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide (PubChem CID 118584614) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
PubChem CID118584614
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=CC(C)CC=C2)cc1
InChIInChI=1S/C14H16N2/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h2,4-10H,3H2,1H3,(H3,15,16)
InChIKeyHGJKWBIUIQKBKR-UHFFFAOYSA-N
XLogP2.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.95
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

ethane;4-phenylbenzenecarboximidamide
CID 91221015
(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
CID 130178588
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
CID 64736917
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64737284
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
CID 22934841
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The IUPAC name of 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide (CID 118584614) is 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2=CC(C)CC=C2)cc1.
What is the InChIKey of 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The InChIKey is HGJKWBIUIQKBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h2,4-10H,3H2,1H3,(H3,15,16).
What are the key properties of 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide has a molecular weight of 212.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide is sourced from PubChem (CID 118584614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).