5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine

C15H18N2 — CID 155313281

IUPAC5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine
SMILESC=C/N=C/C=C(\C)c1ccc2c(c1N)CCC2
InChIInChI=1S/C15H18N2/c1-3-17-10-9-11(2)13-8-7-12-5-4-6-14(12)15(13)16/h3,7-10H,1,4-6,16H2,2H3/b11-9+,17-10+
InChIKeyKUZZKZNBMHCNLI-ATELFFGISA-N
MW226.32 g/mol
LogP3.38
Rot. Bonds3

About 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine

5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 155313281) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine
PubChem CID155313281
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine
SMILESC=C/N=C/C=C(\C)c1ccc2c(c1N)CCC2
InChIInChI=1S/C15H18N2/c1-3-17-10-9-11(2)13-8-7-12-5-4-6-14(12)15(13)16/h3,7-10H,1,4-6,16H2,2H3/b11-9+,17-10+
InChIKeyKUZZKZNBMHCNLI-ATELFFGISA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine
CID 174267752
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
5-azido-2,3-dihydro-1H-inden-4-amine
CID 141479420
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine
CID 169152608
5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
CID 175232409
2-methyl-4-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid
CID 69186533
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
6-prop-1-en-2-yl-2,3-dihydro-1H-inden-5-amine
CID 135331231
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine (CID 155313281) is 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine is C=C/N=C/C=C(\C)c1ccc2c(c1N)CCC2.
What is the InChIKey of 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is KUZZKZNBMHCNLI-ATELFFGISA-N. The full InChI is InChI=1S/C15H18N2/c1-3-17-10-9-11(2)13-8-7-12-5-4-6-14(12)15(13)16/h3,7-10H,1,4-6,16H2,2H3/b11-9+,17-10+.
What are the key properties of 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine?
5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 226.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-ethenyliminobut-2-en-2-yl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 155313281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).