(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine

C17H24N2 — CID 164912251

IUPAC(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine
SMILESCCC1=C(\C)CN(C)c2ccccc2/C(NC)=C\1C
InChIInChI=1S/C17H24N2/c1-6-14-12(2)11-19(5)16-10-8-7-9-15(16)17(18-4)13(14)3/h7-10,18H,6,11H2,1-5H3/b14-12-,17-13+
InChIKeyUUQUAATXNZSSAI-XSZMWJROSA-N
MW256.39 g/mol
LogP3.81
Rot. Bonds2

About (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine

(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine (PubChem CID 164912251) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine.

Molecular Properties

Compound Name(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine
PubChem CID164912251
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine
SMILESCCC1=C(\C)CN(C)c2ccccc2/C(NC)=C\1C
InChIInChI=1S/C17H24N2/c1-6-14-12(2)11-19(5)16-10-8-7-9-15(16)17(18-4)13(14)3/h7-10,18H,6,11H2,1-5H3/b14-12-,17-13+
InChIKeyUUQUAATXNZSSAI-XSZMWJROSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine?
The IUPAC name of (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine (CID 164912251) is (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine.
What is the SMILES notation for (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine?
The canonical SMILES for (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine is CCC1=C(\C)CN(C)c2ccccc2/C(NC)=C\1C.
What is the InChIKey of (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine?
The InChIKey is UUQUAATXNZSSAI-XSZMWJROSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-14-12(2)11-19(5)16-10-8-7-9-15(16)17(18-4)13(14)3/h7-10,18H,6,11H2,1-5H3/b14-12-,17-13+.
What are the key properties of (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine?
(3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine has a molecular weight of 256.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-ethyl-N,1,3,5-tetramethyl-2H-1-benzazocin-6-amine is sourced from PubChem (CID 164912251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).