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

C13H20 — CID 91748046

IUPAC2'-methylspiro[adamantane-2,1'-cyclopropane]
SMILESCC1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20/c1-8-7-13(8)11-3-9-2-10(5-11)6-12(13)4-9/h8-12H,2-7H2,1H3
InChIKeySOMKKEUMGXBUBA-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

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

2'-methylspiro[adamantane-2,1'-cyclopropane] (PubChem CID 91748046) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2'-methylspiro[adamantane-2,1'-cyclopropane].

Molecular Properties

Compound Name2'-methylspiro[adamantane-2,1'-cyclopropane]
PubChem CID91748046
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2'-methylspiro[adamantane-2,1'-cyclopropane]
SMILESCC1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20/c1-8-7-13(8)11-3-9-2-10(5-11)6-12(13)4-9/h8-12H,2-7H2,1H3
InChIKeySOMKKEUMGXBUBA-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-methylspiro[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

2,2-dimethyladamantane;ethane
CID 91483373
(4R)-4-methyltetracyclo[5.2.1.03,8.05,8]decane
CID 149085298
2-ethyl-2-methyladamantane
CID 21349236
bis(2-methyl-2-adamantyl)diazene
CID 134985564
adamantane;ethane
CID 90892828
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
adamantane;1-methyladamantane
CID 53425859
adamantane;ethane;methane
CID 157076952
adamantane;methanol
CID 21094834
CID 10859436
CID 10859436
2'-methylspiro[adamantane-2,3'-oxaziridine]
CID 12693707
1-(1-adamantyl)-2-methylcyclopropan-1-amine
CID 79332665

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[adamantane-2,1'-cyclopropane]?
The IUPAC name of 2'-methylspiro[adamantane-2,1'-cyclopropane] (CID 91748046) is 2'-methylspiro[adamantane-2,1'-cyclopropane].
What is the SMILES notation for 2'-methylspiro[adamantane-2,1'-cyclopropane]?
The canonical SMILES for 2'-methylspiro[adamantane-2,1'-cyclopropane] is CC1CC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 2'-methylspiro[adamantane-2,1'-cyclopropane]?
The InChIKey is SOMKKEUMGXBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-8-7-13(8)11-3-9-2-10(5-11)6-12(13)4-9/h8-12H,2-7H2,1H3.
What are the key properties of 2'-methylspiro[adamantane-2,1'-cyclopropane]?
2'-methylspiro[adamantane-2,1'-cyclopropane] has a molecular weight of 176.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[adamantane-2,1'-cyclopropane] is sourced from PubChem (CID 91748046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).