(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine

C13H15N — CID 144827642

IUPAC(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1\Cc2ccccc2C1(C)C
InChIInChI=1S/C13H15N/c1-13(2)11(7-8-14)9-10-5-3-4-6-12(10)13/h3-8,14H,9H2,1-2H3/b11-7+,14-8+
InChIKeyQDYFIOFGILGQPX-HPIZBCMHSA-N
MW185.27 g/mol
LogP3.10
Rot. Bonds1

About (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine

(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine (PubChem CID 144827642) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine
PubChem CID144827642
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1\Cc2ccccc2C1(C)C
InChIInChI=1S/C13H15N/c1-13(2)11(7-8-14)9-10-5-3-4-6-12(10)13/h3-8,14H,9H2,1-2H3/b11-7+,14-8+
InChIKeyQDYFIOFGILGQPX-HPIZBCMHSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(Z)-3-fluoro-2-methylprop-2-enylidene]-3,3-dimethyl-1H-indene
CID 144645431
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
CID 161333724
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine
CID 134321166
(2E)-2-[(Z)-2-(4-iodocyclohex-3-en-1-yl)pent-2-enylidene]-3,3-dimethyl-1H-indene
CID 89170940
5-bromo-7,7-dimethyl-12H-benzo[a]anthracene
CID 159406823
6,9,9-trimethyl-5,8-dihydrobenzo[7]annulene
CID 123817244
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine
CID 89140860

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine?
The IUPAC name of (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine (CID 144827642) is (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine.
What is the SMILES notation for (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine?
The canonical SMILES for (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine is [H]/N=C/C=C1\Cc2ccccc2C1(C)C.
What is the InChIKey of (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine?
The InChIKey is QDYFIOFGILGQPX-HPIZBCMHSA-N. The full InChI is InChI=1S/C13H15N/c1-13(2)11(7-8-14)9-10-5-3-4-6-12(10)13/h3-8,14H,9H2,1-2H3/b11-7+,14-8+.
What are the key properties of (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine?
(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine has a molecular weight of 185.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine is sourced from PubChem (CID 144827642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).