(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane

C16H24N2 — CID 153390167

IUPAC(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
SMILESC/N=C/C(C)=C(\C)C1=CNC2CC=CC=C12.CC
InChIInChI=1S/C14H18N2.C2H6/c1-10(8-15-3)11(2)13-9-16-14-7-5-4-6-12(13)14;1-2/h4-6,8-9,14,16H,7H2,1-3H3;1-2H3/b11-10+,15-8+;
InChIKeyWQYLPHIXUAJMHD-IBZBWWJTSA-N
MW244.38 g/mol
LogP3.79
Rot. Bonds2

About (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane

(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane (PubChem CID 153390167) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane.

Molecular Properties

Compound Name(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
PubChem CID153390167
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
SMILESC/N=C/C(C)=C(\C)C1=CNC2CC=CC=C12.CC
InChIInChI=1S/C14H18N2.C2H6/c1-10(8-15-3)11(2)13-9-16-14-7-5-4-6-12(13)14;1-2/h4-6,8-9,14,16H,7H2,1-3H3;1-2H3/b11-10+,15-8+;
InChIKeyWQYLPHIXUAJMHD-IBZBWWJTSA-N
XLogP3.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
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2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
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1-(6H-indol-7-yl)butan-2-amine
CID 91003537
3-[(Z)-1-iminobut-2-en-2-yl]-N-methyl-3,4,7,8-tetrahydroisoquinolin-8-amine
CID 132186864
1-hexyl-2H-pyrrolo[2,3-c][2,6]naphthyridine
CID 136419355
2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-f]isoquinoline
CID 137372115
(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
CID 142202383
(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
CID 142907377
N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
CID 145204354
N-[(1Z)-buta-1,3-dienyl]-1-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridin-4-yl]methanimine
CID 145498108
(Z)-2-(2-methyl-1,2-dihydropyridin-3-yl)pent-2-en-1-imine
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N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane?
The IUPAC name of (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane (CID 153390167) is (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane.
What is the SMILES notation for (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane?
The canonical SMILES for (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane is C/N=C/C(C)=C(\C)C1=CNC2CC=CC=C12.CC.
What is the InChIKey of (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane?
The InChIKey is WQYLPHIXUAJMHD-IBZBWWJTSA-N. The full InChI is InChI=1S/C14H18N2.C2H6/c1-10(8-15-3)11(2)13-9-16-14-7-5-4-6-12(13)14;1-2/h4-6,8-9,14,16H,7H2,1-3H3;1-2H3/b11-10+,15-8+;.
What are the key properties of (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane?
(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane has a molecular weight of 244.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane is sourced from PubChem (CID 153390167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).