6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane

C17H23N — CID 175711468

IUPAC6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane
SMILESCc1cccc(CC2CC3(CNC3)C2)c1C1CC1
InChIInChI=1S/C17H23N/c1-12-3-2-4-15(16(12)14-5-6-14)7-13-8-17(9-13)10-18-11-17/h2-4,13-14,18H,5-11H2,1H3
InChIKeyQKAFZNUSMFINQW-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.41
Rot. Bonds3

About 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane

6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane (PubChem CID 175711468) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane
PubChem CID175711468
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane
SMILESCc1cccc(CC2CC3(CNC3)C2)c1C1CC1
InChIInChI=1S/C17H23N/c1-12-3-2-4-15(16(12)14-5-6-14)7-13-8-17(9-13)10-18-11-17/h2-4,13-14,18H,5-11H2,1H3
InChIKeyQKAFZNUSMFINQW-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane (CID 175711468) is 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane is Cc1cccc(CC2CC3(CNC3)C2)c1C1CC1.
What is the InChIKey of 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The InChIKey is QKAFZNUSMFINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12-3-2-4-15(16(12)14-5-6-14)7-13-8-17(9-13)10-18-11-17/h2-4,13-14,18H,5-11H2,1H3.
What are the key properties of 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane has a molecular weight of 241.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-3-methylphenyl)methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 175711468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).