4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

C15H19N3 — CID 154301165

IUPAC4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILES[H]/N=C(/C1=CCC(NC)(NC)C=C1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-17-15(18-2)10-8-13(9-11-15)14(16)12-6-4-3-5-7-12/h3-10,16-18H,11H2,1-2H3/b16-14+
InChIKeyXFSMWVPDHYXHMQ-JQIJEIRASA-N
MW241.34 g/mol
LogP2.08
Rot. Bonds4

About 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 154301165) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
PubChem CID154301165
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILES[H]/N=C(/C1=CCC(NC)(NC)C=C1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-17-15(18-2)10-8-13(9-11-15)14(16)12-6-4-3-5-7-12/h3-10,16-18H,11H2,1-2H3/b16-14+
InChIKeyXFSMWVPDHYXHMQ-JQIJEIRASA-N
XLogP2.08
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (CID 154301165) is 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is [H]/N=C(/C1=CCC(NC)(NC)C=C1)c1ccccc1.
What is the InChIKey of 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is XFSMWVPDHYXHMQ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H19N3/c1-17-15(18-2)10-8-13(9-11-15)14(16)12-6-4-3-5-7-12/h3-10,16-18H,11H2,1-2H3/b16-14+.
What are the key properties of 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 154301165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).