4-ethenyl-1H-phenalene;N-methylmethanamine

C17H19N — CID 174594490

IUPAC4-ethenyl-1H-phenalene;N-methylmethanamine
SMILESC=Cc1ccc2cccc3c2c1C=CC3.CNC
InChIInChI=1S/C15H12.C2H7N/c1-2-11-9-10-13-6-3-5-12-7-4-8-14(11)15(12)13;1-3-2/h2-6,8-10H,1,7H2;3H,1-2H3
InChIKeyRTEMKEOAOUPSST-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.89
Rot. Bonds1

About 4-ethenyl-1H-phenalene;N-methylmethanamine

4-ethenyl-1H-phenalene;N-methylmethanamine (PubChem CID 174594490) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-ethenyl-1H-phenalene;N-methylmethanamine.

Molecular Properties

Compound Name4-ethenyl-1H-phenalene;N-methylmethanamine
PubChem CID174594490
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-ethenyl-1H-phenalene;N-methylmethanamine
SMILESC=Cc1ccc2cccc3c2c1C=CC3.CNC
InChIInChI=1S/C15H12.C2H7N/c1-2-11-9-10-13-6-3-5-12-7-4-8-14(11)15(12)13;1-3-2/h2-6,8-10H,1,7H2;3H,1-2H3
InChIKeyRTEMKEOAOUPSST-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1H-phenalene;N-methylmethanamine?
The IUPAC name of 4-ethenyl-1H-phenalene;N-methylmethanamine (CID 174594490) is 4-ethenyl-1H-phenalene;N-methylmethanamine.
What is the SMILES notation for 4-ethenyl-1H-phenalene;N-methylmethanamine?
The canonical SMILES for 4-ethenyl-1H-phenalene;N-methylmethanamine is C=Cc1ccc2cccc3c2c1C=CC3.CNC.
What is the InChIKey of 4-ethenyl-1H-phenalene;N-methylmethanamine?
The InChIKey is RTEMKEOAOUPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C2H7N/c1-2-11-9-10-13-6-3-5-12-7-4-8-14(11)15(12)13;1-3-2/h2-6,8-10H,1,7H2;3H,1-2H3.
What are the key properties of 4-ethenyl-1H-phenalene;N-methylmethanamine?
4-ethenyl-1H-phenalene;N-methylmethanamine has a molecular weight of 237.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1H-phenalene;N-methylmethanamine is sourced from PubChem (CID 174594490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).