N'-amino-2-[4-(methylamino)phenyl]ethanimidamide

C9H14N4 — CID 142222438

IUPACN'-amino-2-[4-(methylamino)phenyl]ethanimidamide
SMILESCNc1ccc(C/C(N)=N/N)cc1
InChIInChI=1S/C9H14N4/c1-12-8-4-2-7(3-5-8)6-9(10)13-11/h2-5,12H,6,11H2,1H3,(H2,10,13)
InChIKeyBQLWUAUOSRRBRU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.50
Rot. Bonds3

About N'-amino-2-[4-(methylamino)phenyl]ethanimidamide

N'-amino-2-[4-(methylamino)phenyl]ethanimidamide (PubChem CID 142222438) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-amino-2-[4-(methylamino)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[4-(methylamino)phenyl]ethanimidamide
PubChem CID142222438
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN'-amino-2-[4-(methylamino)phenyl]ethanimidamide
SMILESCNc1ccc(C/C(N)=N/N)cc1
InChIInChI=1S/C9H14N4/c1-12-8-4-2-7(3-5-8)6-9(10)13-11/h2-5,12H,6,11H2,1H3,(H2,10,13)
InChIKeyBQLWUAUOSRRBRU-UHFFFAOYSA-N
XLogP0.50
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
2-[4-(tert-butylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 77017156
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
4-[2-[hydroxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]-2-(trifluoromethylsulfonyl)ethyl]-N-methylaniline
CID 102194852
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
1,5-bis[4-(methylamino)phenyl]pentan-3-one
CID 175944254

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[4-(methylamino)phenyl]ethanimidamide?
The IUPAC name of N'-amino-2-[4-(methylamino)phenyl]ethanimidamide (CID 142222438) is N'-amino-2-[4-(methylamino)phenyl]ethanimidamide.
What is the SMILES notation for N'-amino-2-[4-(methylamino)phenyl]ethanimidamide?
The canonical SMILES for N'-amino-2-[4-(methylamino)phenyl]ethanimidamide is CNc1ccc(C/C(N)=N/N)cc1.
What is the InChIKey of N'-amino-2-[4-(methylamino)phenyl]ethanimidamide?
The InChIKey is BQLWUAUOSRRBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-12-8-4-2-7(3-5-8)6-9(10)13-11/h2-5,12H,6,11H2,1H3,(H2,10,13).
What are the key properties of N'-amino-2-[4-(methylamino)phenyl]ethanimidamide?
N'-amino-2-[4-(methylamino)phenyl]ethanimidamide has a molecular weight of 178.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[4-(methylamino)phenyl]ethanimidamide is sourced from PubChem (CID 142222438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).