N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline

C22H18N2 — CID 68547599

IUPACN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
SMILESC1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2
InChIKeyVSUORNKDOBOSNA-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.63
Rot. Bonds4

About N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline

N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline (PubChem CID 68547599) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
PubChem CID68547599
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC NameN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
SMILESC1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2
InChIKeyVSUORNKDOBOSNA-UHFFFAOYSA-N
XLogP5.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The IUPAC name of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline (CID 68547599) is N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The canonical SMILES for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline is C1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1.
What is the InChIKey of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The InChIKey is VSUORNKDOBOSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2.
What are the key properties of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline has a molecular weight of 310.40 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline is sourced from PubChem (CID 68547599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).