6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane

C16H21N — CID 175711449

IUPAC6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane
SMILESCc1cc(C2CC2)ccc1C1CC2(CNC2)C1
InChIInChI=1S/C16H21N/c1-11-6-13(12-2-3-12)4-5-15(11)14-7-16(8-14)9-17-10-16/h4-6,12,14,17H,2-3,7-10H2,1H3
InChIKeyKNFBWSGQAIWRRZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.34
Rot. Bonds2

About 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane

6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane (PubChem CID 175711449) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane
PubChem CID175711449
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane
SMILESCc1cc(C2CC2)ccc1C1CC2(CNC2)C1
InChIInChI=1S/C16H21N/c1-11-6-13(12-2-3-12)4-5-15(11)14-7-16(8-14)9-17-10-16/h4-6,12,14,17H,2-3,7-10H2,1H3
InChIKeyKNFBWSGQAIWRRZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane (CID 175711449) is 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane is Cc1cc(C2CC2)ccc1C1CC2(CNC2)C1.
What is the InChIKey of 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane?
The InChIKey is KNFBWSGQAIWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11-6-13(12-2-3-12)4-5-15(11)14-7-16(8-14)9-17-10-16/h4-6,12,14,17H,2-3,7-10H2,1H3.
What are the key properties of 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane?
6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane has a molecular weight of 227.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 175711449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).