6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide

C32H33N3 — CID 10298221

IUPAC6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(CC)CNC4Cc3ccccc3)ccc2c1
InChIInChI=1S/C32H33N3/c1-2-21-19-35-31(14-20-6-4-3-5-7-20)27-13-12-25(17-28(21)27)30-18-29(30)24-10-8-23-16-26(32(33)34)11-9-22(23)15-24/h3-13,15-17,21,29-31,35H,2,14,18-19H2,1H3,(H3,33,34)
InChIKeyWWQPWTPVFFGEAD-UHFFFAOYSA-N
MW459.64 g/mol
LogP6.78
Rot. Bonds6

About 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide

6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10298221) has the molecular formula C32H33N3 and a molecular weight of 459.64 g/mol. Its IUPAC name is 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide
PubChem CID10298221
Molecular FormulaC32H33N3
Molecular Weight459.64 g/mol
Exact Mass459.27
IUPAC Name6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(CC)CNC4Cc3ccccc3)ccc2c1
InChIInChI=1S/C32H33N3/c1-2-21-19-35-31(14-20-6-4-3-5-7-20)27-13-12-25(17-28(21)27)30-18-29(30)24-10-8-23-16-26(32(33)34)11-9-22(23)15-24/h3-13,15-17,21,29-31,35H,2,14,18-19H2,1H3,(H3,33,34)
InChIKeyWWQPWTPVFFGEAD-UHFFFAOYSA-N
XLogP6.78
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide 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 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide?
The IUPAC name of 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide (CID 10298221) is 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide?
The canonical SMILES for 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(CC)CNC4Cc3ccccc3)ccc2c1.
What is the InChIKey of 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide?
The InChIKey is WWQPWTPVFFGEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3/c1-2-21-19-35-31(14-20-6-4-3-5-7-20)27-13-12-25(17-28(21)27)30-18-29(30)24-10-8-23-16-26(32(33)34)11-9-22(23)15-24/h3-13,15-17,21,29-31,35H,2,14,18-19H2,1H3,(H3,33,34).
What are the key properties of 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide?
6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 459.64 g/mol, XLogP of 6.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10298221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).