(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline

C17H23N — CID 168983877

IUPAC(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline
SMILESC=c1ccc2c(/c1=C(/C=C\C)C(C)C)CCNC2
InChIInChI=1S/C17H23N/c1-5-6-15(12(2)3)17-13(4)7-8-14-11-18-10-9-16(14)17/h5-8,12,18H,4,9-11H2,1-3H3/b6-5-,17-15-
InChIKeyHQUMPVJRBBXIQI-GGXJELAESA-N
MW241.38 g/mol
LogP2.13
Rot. Bonds2

About (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline

(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline (PubChem CID 168983877) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline
PubChem CID168983877
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline
SMILESC=c1ccc2c(/c1=C(/C=C\C)C(C)C)CCNC2
InChIInChI=1S/C17H23N/c1-5-6-15(12(2)3)17-13(4)7-8-14-11-18-10-9-16(14)17/h5-8,12,18H,4,9-11H2,1-3H3/b6-5-,17-15-
InChIKeyHQUMPVJRBBXIQI-GGXJELAESA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline (CID 168983877) is (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline is C=c1ccc2c(/c1=C(/C=C\C)C(C)C)CCNC2.
What is the InChIKey of (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HQUMPVJRBBXIQI-GGXJELAESA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-15(12(2)3)17-13(4)7-8-14-11-18-10-9-16(14)17/h5-8,12,18H,4,9-11H2,1-3H3/b6-5-,17-15-.
What are the key properties of (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline?
(5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-2-methylhex-4-en-3-ylidene]-6-methylidene-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 168983877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).