N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline

C19H21N3 — CID 57263996

IUPACN-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline
SMILESc1ccc(NN=C2CCN3CCc4ccccc4C3C2)cc1
InChIInChI=1S/C19H21N3/c1-2-7-16(8-3-1)20-21-17-11-13-22-12-10-15-6-4-5-9-18(15)19(22)14-17/h1-9,19-20H,10-14H2
InChIKeyIUJNWERAMUJVAD-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.85
Rot. Bonds2

About N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline

N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline (PubChem CID 57263996) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline.

Molecular Properties

Compound NameN-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline
PubChem CID57263996
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline
SMILESc1ccc(NN=C2CCN3CCc4ccccc4C3C2)cc1
InChIInChI=1S/C19H21N3/c1-2-7-16(8-3-1)20-21-17-11-13-22-12-10-15-6-4-5-9-18(15)19(22)14-17/h1-9,19-20H,10-14H2
InChIKeyIUJNWERAMUJVAD-UHFFFAOYSA-N
XLogP3.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline?
The IUPAC name of N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline (CID 57263996) is N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline.
What is the SMILES notation for N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline?
The canonical SMILES for N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline is c1ccc(NN=C2CCN3CCc4ccccc4C3C2)cc1.
What is the InChIKey of N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline?
The InChIKey is IUJNWERAMUJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-7-16(8-3-1)20-21-17-11-13-22-12-10-15-6-4-5-9-18(15)19(22)14-17/h1-9,19-20H,10-14H2.
What are the key properties of N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline?
N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline has a molecular weight of 291.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline is sourced from PubChem (CID 57263996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).