N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine

C8H10ClN3 — CID 138486916

IUPACN'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine
SMILESNCN/N=C/c1ccccc1Cl
InChIInChI=1S/C8H10ClN3/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-5,12H,6,10H2/b11-5+
InChIKeyFUQCHXQFCQQBRP-VZUCSPMQSA-N
MW183.64 g/mol
LogP1.18
Rot. Bonds3

About N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine

N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine (PubChem CID 138486916) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine.

Molecular Properties

Compound NameN'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine
PubChem CID138486916
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine
SMILESNCN/N=C/c1ccccc1Cl
InChIInChI=1S/C8H10ClN3/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-5,12H,6,10H2/b11-5+
InChIKeyFUQCHXQFCQQBRP-VZUCSPMQSA-N
XLogP1.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.18
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
CID 19060201
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 5356621
N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900307
6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine
CID 110272746

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine?
The IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine (CID 138486916) is N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine.
What is the SMILES notation for N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine?
The canonical SMILES for N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine is NCN/N=C/c1ccccc1Cl.
What is the InChIKey of N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine?
The InChIKey is FUQCHXQFCQQBRP-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-5,12H,6,10H2/b11-5+.
What are the key properties of N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine?
N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine has a molecular weight of 183.64 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine is sourced from PubChem (CID 138486916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).