[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium

C17H23N4+ — CID 165094844

IUPAC[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium
SMILESCNC(C=C(N)c1ccccc1)Nc1ccc(C[NH3+])cc1
InChIInChI=1S/C17H22N4/c1-20-17(11-16(19)14-5-3-2-4-6-14)21-15-9-7-13(12-18)8-10-15/h2-11,17,20-21H,12,18-19H2,1H3/p+1
InChIKeyXHYAHRPGTLVGEA-UHFFFAOYSA-O
MW283.40 g/mol
LogP1.39
Rot. Bonds6

About [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium

[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium (PubChem CID 165094844) has the molecular formula C17H23N4+ and a molecular weight of 283.40 g/mol. Its IUPAC name is [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium
PubChem CID165094844
Molecular FormulaC17H23N4+
Molecular Weight283.40 g/mol
Exact Mass283.19
IUPAC Name[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium
SMILESCNC(C=C(N)c1ccccc1)Nc1ccc(C[NH3+])cc1
InChIInChI=1S/C17H22N4/c1-20-17(11-16(19)14-5-3-2-4-6-14)21-15-9-7-13(12-18)8-10-15/h2-11,17,20-21H,12,18-19H2,1H3/p+1
InChIKeyXHYAHRPGTLVGEA-UHFFFAOYSA-O
XLogP1.39
TPSA77.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 142293651
(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine
CID 144956917
4-benzyl-N-propan-2-ylaniline
CID 22888879
1-(4-benzylanilino)propan-1-ol
CID 141374404
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
(Z)-4-amino-2-(methylamino)-6-phenylhex-3-enoic acid
CID 143078170
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline
CID 142999337
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
(4-hydroxyphenyl)methylazanium bromide
CID 46835682

Frequently Asked Questions

What is the IUPAC name of [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium?
The IUPAC name of [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium (CID 165094844) is [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium.
What is the SMILES notation for [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium?
The canonical SMILES for [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium is CNC(C=C(N)c1ccccc1)Nc1ccc(C[NH3+])cc1.
What is the InChIKey of [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium?
The InChIKey is XHYAHRPGTLVGEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4/c1-20-17(11-16(19)14-5-3-2-4-6-14)21-15-9-7-13(12-18)8-10-15/h2-11,17,20-21H,12,18-19H2,1H3/p+1.
What are the key properties of [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium?
[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium has a molecular weight of 283.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium is sourced from PubChem (CID 165094844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).