N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide

C17H20N4 — CID 132564986

IUPACN'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
SMILESN/C(=N\CCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H2,18,20)(H2,19,21)
InChIKeyHHSBWYOZJKRDNC-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.19
Rot. Bonds6

About N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide

N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide (PubChem CID 132564986) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
PubChem CID132564986
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
SMILESN/C(=N\CCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H2,18,20)(H2,19,21)
InChIKeyHHSBWYOZJKRDNC-UHFFFAOYSA-N
XLogP2.19
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminobutyl)benzenecarboximidamide
CID 172789846
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxybenzenecarboximidamide
CID 142861747
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N'-(thiophen-2-ylmethyl)benzenecarboximidamide
CID 62049809
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide?
The IUPAC name of N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide (CID 132564986) is N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide.
What is the SMILES notation for N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide?
The canonical SMILES for N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide is N/C(=N\CCC/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide?
The InChIKey is HHSBWYOZJKRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H2,18,20)(H2,19,21).
What are the key properties of N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide?
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide has a molecular weight of 280.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide is sourced from PubChem (CID 132564986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).