N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine

C15H20N2 — CID 70299850

IUPACN-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CN1CCc2cccc(C)c21
InChIInChI=1S/C15H20N2/c1-4-16-10-12(2)11-17-9-8-14-7-5-6-13(3)15(14)17/h4-7,10H,8-9,11H2,1-3H3/b12-10+,16-4+
InChIKeyKQEFUSUJEAIBCB-YPFGHXSXSA-N
MW228.34 g/mol
LogP3.35
Rot. Bonds3

About N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine

N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine (PubChem CID 70299850) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine
PubChem CID70299850
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CN1CCc2cccc(C)c21
InChIInChI=1S/C15H20N2/c1-4-16-10-12(2)11-17-9-8-14-7-5-6-13(3)15(14)17/h4-7,10H,8-9,11H2,1-3H3/b12-10+,16-4+
InChIKeyKQEFUSUJEAIBCB-YPFGHXSXSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine (CID 70299850) is N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine is C/C=N/C=C(\C)CN1CCc2cccc(C)c21.
What is the InChIKey of N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine?
The InChIKey is KQEFUSUJEAIBCB-YPFGHXSXSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-16-10-12(2)11-17-9-8-14-7-5-6-13(3)15(14)17/h4-7,10H,8-9,11H2,1-3H3/b12-10+,16-4+.
What are the key properties of N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine?
N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine has a molecular weight of 228.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-(7-methyl-2,3-dihydroindol-1-yl)prop-1-enyl]ethanimine is sourced from PubChem (CID 70299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).