N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine

C17H21N — CID 142946827

IUPACN-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine
SMILESC=C/C(=C\N=C\C)c1ccc2c(c1)CC(C)(C)C2
InChIInChI=1S/C17H21N/c1-5-13(12-18-6-2)14-7-8-15-10-17(3,4)11-16(15)9-14/h5-9,12H,1,10-11H2,2-4H3/b13-12+,18-6+
InChIKeyKUWFGVIVZUKHKL-UEFSIDPBSA-N
MW239.36 g/mol
LogP4.43
Rot. Bonds3

About N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine

N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine (PubChem CID 142946827) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine
PubChem CID142946827
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine
SMILESC=C/C(=C\N=C\C)c1ccc2c(c1)CC(C)(C)C2
InChIInChI=1S/C17H21N/c1-5-13(12-18-6-2)14-7-8-15-10-17(3,4)11-16(15)9-14/h5-9,12H,1,10-11H2,2-4H3/b13-12+,18-6+
InChIKeyKUWFGVIVZUKHKL-UEFSIDPBSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-2-thiophen-3-ylbuta-1,3-dienyl]ethanimine
CID 142049337
2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
CID 142424522
1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine
CID 123475923
5-[(3E,5E)-5-ethylideneocta-1,3-dien-6-yn-3-yl]-3,3-dimethylspiro[1H-indene-2,1'-cyclohexane]
CID 145370760
(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone
CID 164614068
N-[(1E)-2-[9,9-dimethyl-7-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)fluoren-2-yl]buta-1,3-dienyl]ethanimine
CID 155066058
6-[(1E)-1-(ethylideneamino)buta-1,3-dien-2-yl]-4-propan-2-ylpyridin-3-amine
CID 143908319
(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid
CID 161132102
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-7-iodo-9,9-dimethylfluorene
CID 89176944
1-(5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-2-yl)prop-2-en-1-one
CID 156718541
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
CID 132513681

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine (CID 142946827) is N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine is C=C/C(=C\N=C\C)c1ccc2c(c1)CC(C)(C)C2.
What is the InChIKey of N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine?
The InChIKey is KUWFGVIVZUKHKL-UEFSIDPBSA-N. The full InChI is InChI=1S/C17H21N/c1-5-13(12-18-6-2)14-7-8-15-10-17(3,4)11-16(15)9-14/h5-9,12H,1,10-11H2,2-4H3/b13-12+,18-6+.
What are the key properties of N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine?
N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine has a molecular weight of 239.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142946827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).