N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline

C19H21N3 — CID 57196809

IUPACN-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline
SMILESc1ccc(N(N=C2CC3CCN(C2)C3)c2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)20-17-13-16-11-12-21(14-16)15-17/h1-10,16H,11-15H2
InChIKeyDYFJQNBBYPKCLK-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.91
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline

N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline (PubChem CID 57196809) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline
PubChem CID57196809
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline
SMILESc1ccc(N(N=C2CC3CCN(C2)C3)c2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)20-17-13-16-11-12-21(14-16)15-17/h1-10,16H,11-15H2
InChIKeyDYFJQNBBYPKCLK-UHFFFAOYSA-N
XLogP3.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
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-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline (CID 57196809) is N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline is c1ccc(N(N=C2CC3CCN(C2)C3)c2ccccc2)cc1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline?
The InChIKey is DYFJQNBBYPKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)20-17-13-16-11-12-21(14-16)15-17/h1-10,16H,11-15H2.
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline?
N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline has a molecular weight of 291.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-ylideneamino)-N-phenylaniline is sourced from PubChem (CID 57196809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).