N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C23H22N2 — CID 2830673

IUPACN-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1C(=C/C=N/c2ccc3ccccc3c2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H22N2/c1-23(2)20-10-6-7-11-21(20)25(3)22(23)14-15-24-19-13-12-17-8-4-5-9-18(17)16-19/h4-16H,1-3H3/b22-14?,24-15+
InChIKeyHJJBIQNOJRERBX-BGBLFQTGSA-N
MW326.44 g/mol
LogP5.85
Rot. Bonds2

About N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 2830673) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID2830673
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1C(=C/C=N/c2ccc3ccccc3c2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H22N2/c1-23(2)20-10-6-7-11-21(20)25(3)22(23)14-15-24-19-13-12-17-8-4-5-9-18(17)16-19/h4-16H,1-3H3/b22-14?,24-15+
InChIKeyHJJBIQNOJRERBX-BGBLFQTGSA-N
XLogP5.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526
6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
CID 1205751
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
CID 4553526
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2346200

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 2830673) is N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1C(=C/C=N/c2ccc3ccccc3c2)C(C)(C)c2ccccc21.
What is the InChIKey of N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is HJJBIQNOJRERBX-BGBLFQTGSA-N. The full InChI is InChI=1S/C23H22N2/c1-23(2)20-10-6-7-11-21(20)25(3)22(23)14-15-24-19-13-12-17-8-4-5-9-18(17)16-19/h4-16H,1-3H3/b22-14?,24-15+.
What are the key properties of N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 326.44 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 2830673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).