2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]

C14H22 — CID 12720713

IUPAC2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]
SMILESCC1(C)CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22/c1-13(2)8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3
InChIKeyBLHDIFDEJFOLEU-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.86
Rot. Bonds

About 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]

2',2'-dimethylspiro[adamantane-2,1'-cyclopropane] (PubChem CID 12720713) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane].

Molecular Properties

Compound Name2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]
PubChem CID12720713
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]
SMILESCC1(C)CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22/c1-13(2)8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3
InChIKeyBLHDIFDEJFOLEU-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2',2'-dimethylspiro[adamantane-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

Related Compounds

1,3-Dimethyladamantane
CID 12800
1,3,5-Trimethyladamantane
CID 136552
1-Methyladamantane
CID 136607
2-Methyladamantane
CID 136535
2-Ethyladamantane
CID 139758
2-Propyladamantane
CID 518952
1-Ethyl-3-methyladamantane
CID 519330
1,3-Dimethyl-5-ethyladamantane
CID 519331
1-Ethyladamantane
CID 522637
1,2,5,7-Tetramethyladamantane
CID 600873
2,2-Dimethyladamantane
CID 140578
1-Methyldiadamantane
CID 141296

Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The IUPAC name of 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane] (CID 12720713) is 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane].
What is the SMILES notation for 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The canonical SMILES for 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane] is CC1(C)CC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The InChIKey is BLHDIFDEJFOLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-13(2)8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane]?
2',2'-dimethylspiro[adamantane-2,1'-cyclopropane] has a molecular weight of 190.33 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethylspiro[adamantane-2,1'-cyclopropane] is sourced from PubChem (CID 12720713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).