4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline

C15H19N3 — CID 147520544

IUPAC4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline
SMILESNC(=C/C(=N\c1ccc(N)cc1)C1CC1)C1CC1
InChIInChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-15(11-3-4-11)9-14(17)10-1-2-10/h5-11H,1-4,16-17H2/b14-9?,18-15+
InChIKeyHUXPBZBCYNKWPI-YFJLZERESA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

About 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline

4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline (PubChem CID 147520544) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline.

Molecular Properties

Compound Name4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline
PubChem CID147520544
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline
SMILESNC(=C/C(=N\c1ccc(N)cc1)C1CC1)C1CC1
InChIInChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-15(11-3-4-11)9-14(17)10-1-2-10/h5-11H,1-4,16-17H2/b14-9?,18-15+
InChIKeyHUXPBZBCYNKWPI-YFJLZERESA-N
XLogP3.00
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline?
The IUPAC name of 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline (CID 147520544) is 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline.
What is the SMILES notation for 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline?
The canonical SMILES for 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline is NC(=C/C(=N\c1ccc(N)cc1)C1CC1)C1CC1.
What is the InChIKey of 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline?
The InChIKey is HUXPBZBCYNKWPI-YFJLZERESA-N. The full InChI is InChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-15(11-3-4-11)9-14(17)10-1-2-10/h5-11H,1-4,16-17H2/b14-9?,18-15+.
What are the key properties of 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline?
4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline has a molecular weight of 241.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline is sourced from PubChem (CID 147520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).