1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]

C14H19N — CID 118617410

IUPAC1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]
SMILESCN1CC2(CC2)c2ccccc2C1(C)C
InChIInChI=1S/C14H19N/c1-13(2)11-6-4-5-7-12(11)14(8-9-14)10-15(13)3/h4-7H,8-10H2,1-3H3
InChIKeyQWAUCCFTEXQOSV-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.90
Rot. Bonds

About 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]

1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane] (PubChem CID 118617410) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]
PubChem CID118617410
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]
SMILESCN1CC2(CC2)c2ccccc2C1(C)C
InChIInChI=1S/C14H19N/c1-13(2)11-6-4-5-7-12(11)14(8-9-14)10-15(13)3/h4-7H,8-10H2,1-3H3
InChIKeyQWAUCCFTEXQOSV-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane] (CID 118617410) is 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane] is CN1CC2(CC2)c2ccccc2C1(C)C.
What is the InChIKey of 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is QWAUCCFTEXQOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-13(2)11-6-4-5-7-12(11)14(8-9-14)10-15(13)3/h4-7H,8-10H2,1-3H3.
What are the key properties of 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]?
1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 201.31 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 118617410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).