(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]

C14H21Cl2N — CID 10901783

IUPAC(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]
SMILESCC12C[C@]3(C)CN(C[C@](C)(C1)C3)C21[C@H](Cl)[C@@H]1Cl
InChIInChI=1S/C14H21Cl2N/c1-11-4-12(2)6-13(3,5-11)14(9(15)10(14)16)17(7-11)8-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-,12+,13?,14?
InChIKeyUVAUHMLOPHVDDW-QHMRNEKISA-N
MW274.23 g/mol
LogP3.49
Rot. Bonds

About (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]

(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] (PubChem CID 10901783) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane].

Molecular Properties

Compound Name(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]
PubChem CID10901783
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]
SMILESCC12C[C@]3(C)CN(C[C@](C)(C1)C3)C21[C@H](Cl)[C@@H]1Cl
InChIInChI=1S/C14H21Cl2N/c1-11-4-12(2)6-13(3,5-11)14(9(15)10(14)16)17(7-11)8-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-,12+,13?,14?
InChIKeyUVAUHMLOPHVDDW-QHMRNEKISA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] 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 (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]?
The IUPAC name of (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] (CID 10901783) is (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane].
What is the SMILES notation for (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]?
The canonical SMILES for (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] is CC12C[C@]3(C)CN(C[C@](C)(C1)C3)C21[C@H](Cl)[C@@H]1Cl.
What is the InChIKey of (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]?
The InChIKey is UVAUHMLOPHVDDW-QHMRNEKISA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-11-4-12(2)6-13(3,5-11)14(9(15)10(14)16)17(7-11)8-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-,12+,13?,14?.
What are the key properties of (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]?
(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] has a molecular weight of 274.23 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane] is sourced from PubChem (CID 10901783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).