[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium

C19H27N6+ — CID 163886871

IUPAC[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium
SMILESC=C(/N=N/c1ccc(N(C)Cc2ccccc2)cc1)N(C)CN[NH2+]C
InChIInChI=1S/C19H26N6/c1-16(25(4)15-21-20-2)22-23-18-10-12-19(13-11-18)24(3)14-17-8-6-5-7-9-17/h5-13,20-21H,1,14-15H2,2-4H3/p+1/b23-22+
InChIKeyPYCVMAFKRAFGKU-GHVJWSGMSA-O
MW339.47 g/mol
LogP2.46
Rot. Bonds9

About [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium

[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium (PubChem CID 163886871) has the molecular formula C19H27N6+ and a molecular weight of 339.47 g/mol. Its IUPAC name is [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium.

Molecular Properties

Compound Name[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium
PubChem CID163886871
Molecular FormulaC19H27N6+
Molecular Weight339.47 g/mol
Exact Mass339.23
IUPAC Name[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium
SMILESC=C(/N=N/c1ccc(N(C)Cc2ccccc2)cc1)N(C)CN[NH2+]C
InChIInChI=1S/C19H26N6/c1-16(25(4)15-21-20-2)22-23-18-10-12-19(13-11-18)24(3)14-17-8-6-5-7-9-17/h5-13,20-21H,1,14-15H2,2-4H3/p+1/b23-22+
InChIKeyPYCVMAFKRAFGKU-GHVJWSGMSA-O
XLogP2.46
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
CID 87500130
N-benzyl-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
CID 22090322
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-benzyl-4-[(2,6-dichloro-4-methylphenyl)diazenyl]-N-methylaniline
CID 123495257
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
N-benzyl-4-[(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)diazenyl]-N-methylaniline
CID 135966530
zinc;bis(N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methylaniline);tetrachloride
CID 170842119
N-benzyl-4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-methylaniline
CID 87610236
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
CID 95464250
N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline acetate
CID 87610304
zinc;bis(N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline);tetrachloride
CID 138401802

Frequently Asked Questions

What is the IUPAC name of [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium?
The IUPAC name of [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium (CID 163886871) is [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium.
What is the SMILES notation for [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium?
The canonical SMILES for [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium is C=C(/N=N/c1ccc(N(C)Cc2ccccc2)cc1)N(C)CN[NH2+]C.
What is the InChIKey of [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium?
The InChIKey is PYCVMAFKRAFGKU-GHVJWSGMSA-O. The full InChI is InChI=1S/C19H26N6/c1-16(25(4)15-21-20-2)22-23-18-10-12-19(13-11-18)24(3)14-17-8-6-5-7-9-17/h5-13,20-21H,1,14-15H2,2-4H3/p+1/b23-22+.
What are the key properties of [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium?
[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium has a molecular weight of 339.47 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium is sourced from PubChem (CID 163886871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).