N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine

C26H26N2 — CID 23016141

IUPACN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)CC=C1
InChIInChI=1S/C26H26N2/c1-26(2,3)25-14-8-13-24(25)23-12-7-6-11-21(23)18-27-28-22-16-15-19-9-4-5-10-20(19)17-22/h4-12,14-18,28H,13H2,1-3H3/b27-18+
InChIKeyHATFMXMSAIPPLD-OVVQPSECSA-N
MW366.51 g/mol
LogP7.05
Rot. Bonds4

About N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine

N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine (PubChem CID 23016141) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
PubChem CID23016141
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)CC=C1
InChIInChI=1S/C26H26N2/c1-26(2,3)25-14-8-13-24(25)23-12-7-6-11-21(23)18-27-28-22-16-15-19-9-4-5-10-20(19)17-22/h4-12,14-18,28H,13H2,1-3H3/b27-18+
InChIKeyHATFMXMSAIPPLD-OVVQPSECSA-N
XLogP7.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 57.05
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-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine (CID 23016141) is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine is CC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)CC=C1.
What is the InChIKey of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The InChIKey is HATFMXMSAIPPLD-OVVQPSECSA-N. The full InChI is InChI=1S/C26H26N2/c1-26(2,3)25-14-8-13-24(25)23-12-7-6-11-21(23)18-27-28-22-16-15-19-9-4-5-10-20(19)17-22/h4-12,14-18,28H,13H2,1-3H3/b27-18+.
What are the key properties of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine has a molecular weight of 366.51 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 23016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).