2-(1-methylcyclopropyl)adamantane

C14H22 — CID 134889071

IUPAC2-(1-methylcyclopropyl)adamantane
SMILESCC1(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C14H22/c1-14(2-3-14)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3
InChIKeyIRZUJJAOAUXSDL-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.86
Rot. Bonds1

About 2-(1-methylcyclopropyl)adamantane

2-(1-methylcyclopropyl)adamantane (PubChem CID 134889071) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)adamantane.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)adamantane
PubChem CID134889071
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-(1-methylcyclopropyl)adamantane
SMILESCC1(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C14H22/c1-14(2-3-14)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3
InChIKeyIRZUJJAOAUXSDL-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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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-(1-methylcyclopropyl)adamantane?
The IUPAC name of 2-(1-methylcyclopropyl)adamantane (CID 134889071) is 2-(1-methylcyclopropyl)adamantane.
What is the SMILES notation for 2-(1-methylcyclopropyl)adamantane?
The canonical SMILES for 2-(1-methylcyclopropyl)adamantane is CC1(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)adamantane?
The InChIKey is IRZUJJAOAUXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-14(2-3-14)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)adamantane?
2-(1-methylcyclopropyl)adamantane has a molecular weight of 190.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)adamantane is sourced from PubChem (CID 134889071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).