(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine

C15H16N2 — CID 91870113

IUPAC(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine
SMILESC/C=C/C1=C(NC)/C=C\C=c2\cccc/c2=N/1
InChIInChI=1S/C15H16N2/c1-3-7-15-14(16-2)11-6-9-12-8-4-5-10-13(12)17-15/h3-11,16H,1-2H3/b7-3+,9-6-,11-6-,12-9-,14-11+,15-14+,17-13-,17-15-
InChIKeyIVSYGSFWVBDXEF-NWMRWBEZSA-N
MW224.31 g/mol
LogP1.66
Rot. Bonds2

About (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine

(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine (PubChem CID 91870113) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine.

Molecular Properties

Compound Name(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine
PubChem CID91870113
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine
SMILESC/C=C/C1=C(NC)/C=C\C=c2\cccc/c2=N/1
InChIInChI=1S/C15H16N2/c1-3-7-15-14(16-2)11-6-9-12-8-4-5-10-13(12)17-15/h3-11,16H,1-2H3/b7-3+,9-6-,11-6-,12-9-,14-11+,15-14+,17-13-,17-15-
InChIKeyIVSYGSFWVBDXEF-NWMRWBEZSA-N
XLogP1.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine?
The IUPAC name of (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine (CID 91870113) is (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine.
What is the SMILES notation for (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine?
The canonical SMILES for (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine is C/C=C/C1=C(NC)/C=C\C=c2\cccc/c2=N/1.
What is the InChIKey of (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine?
The InChIKey is IVSYGSFWVBDXEF-NWMRWBEZSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-7-15-14(16-2)11-6-9-12-8-4-5-10-13(12)17-15/h3-11,16H,1-2H3/b7-3+,9-6-,11-6-,12-9-,14-11+,15-14+,17-13-,17-15-.
What are the key properties of (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine?
(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine is sourced from PubChem (CID 91870113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).