6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

C26H29N3 — CID 10271320

About 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10271320) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

• Compound Name: 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
• PubChem CID: 10271320
• Molecular Formula: C26H29N3
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.24
• IUPAC Name: 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)NCC4)ccc2c1
• InChI: InChI=1S/C26H29N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23,25,29H,9-10,14H2,1-2H3,(H3,27,28)
• InChIKey: IBRFUIAQPHFOQW-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 61.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?

The IUPAC name of 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (CID 10271320) is 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.

What is the SMILES notation for 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?

The canonical SMILES for 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)NCC4)ccc2c1.

What is the InChIKey of 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?

The InChIKey is IBRFUIAQPHFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23,25,29H,9-10,14H2,1-2H3,(H3,27,28).

What are the key properties of 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?

6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 383.54 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10271320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).