N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide

C18H19N3O — CID 129197172

IUPACN-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide
SMILES[H]/N=C/c1ccc(C2CC2(C)c2ccccc2NC=O)cc1N
InChIInChI=1S/C18H19N3O/c1-18(14-4-2-3-5-17(14)21-11-22)9-15(18)12-6-7-13(10-19)16(20)8-12/h2-8,10-11,15,19H,9,20H2,1H3,(H,21,22)/b19-10+
InChIKeyCIIIGAGFPOJJNT-VXLYETTFSA-N
MW293.37 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide

N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide (PubChem CID 129197172) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide
PubChem CID129197172
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide
SMILES[H]/N=C/c1ccc(C2CC2(C)c2ccccc2NC=O)cc1N
InChIInChI=1S/C18H19N3O/c1-18(14-4-2-3-5-17(14)21-11-22)9-15(18)12-6-7-13(10-19)16(20)8-12/h2-8,10-11,15,19H,9,20H2,1H3,(H,21,22)/b19-10+
InChIKeyCIIIGAGFPOJJNT-VXLYETTFSA-N
XLogP3.28
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide?
The IUPAC name of N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide (CID 129197172) is N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide.
What is the SMILES notation for N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide?
The canonical SMILES for N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide is [H]/N=C/c1ccc(C2CC2(C)c2ccccc2NC=O)cc1N.
What is the InChIKey of N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide?
The InChIKey is CIIIGAGFPOJJNT-VXLYETTFSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(14-4-2-3-5-17(14)21-11-22)9-15(18)12-6-7-13(10-19)16(20)8-12/h2-8,10-11,15,19H,9,20H2,1H3,(H,21,22)/b19-10+.
What are the key properties of N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide?
N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide has a molecular weight of 293.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-amino-4-methanimidoylphenyl)-1-methylcyclopropyl]phenyl]formamide is sourced from PubChem (CID 129197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).