(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C18H19N3 — CID 21179247

IUPAC(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccncc2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H19N3/c1-18(2)15-6-4-5-7-16(15)21(3)17(18)10-13-20-14-8-11-19-12-9-14/h4-13H,1-3H3/b17-10-,20-13+
InChIKeyAYBFJNSYPHAQQN-OGDOFCIQSA-N
MW277.37 g/mol
LogP4.10
Rot. Bonds2

About (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 21179247) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID21179247
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccncc2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H19N3/c1-18(2)15-6-4-5-7-16(15)21(3)17(18)10-13-20-14-8-11-19-12-9-14/h4-13H,1-3H3/b17-10-,20-13+
InChIKeyAYBFJNSYPHAQQN-OGDOFCIQSA-N
XLogP4.10
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
(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
(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179241
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2346200
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 21179247) is (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1/C(=C\C=N\c2ccncc2)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is AYBFJNSYPHAQQN-OGDOFCIQSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2)15-6-4-5-7-16(15)21(3)17(18)10-13-20-14-8-11-19-12-9-14/h4-13H,1-3H3/b17-10-,20-13+.
What are the key properties of (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 277.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 21179247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).