1-(1-methylcyclopropyl)adamantane

C14H22 — CID 19371018

IUPAC1-(1-methylcyclopropyl)adamantane
SMILESCC1(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C14H22/c1-13(2-3-13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3
InChIKeyPSAOAIMYQGQHAY-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.00
Rot. Bonds1

About 1-(1-methylcyclopropyl)adamantane

1-(1-methylcyclopropyl)adamantane (PubChem CID 19371018) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)adamantane.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)adamantane
PubChem CID19371018
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(1-methylcyclopropyl)adamantane
SMILESCC1(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C14H22/c1-13(2-3-13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3
InChIKeyPSAOAIMYQGQHAY-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)adamantane?
The IUPAC name of 1-(1-methylcyclopropyl)adamantane (CID 19371018) is 1-(1-methylcyclopropyl)adamantane.
What is the SMILES notation for 1-(1-methylcyclopropyl)adamantane?
The canonical SMILES for 1-(1-methylcyclopropyl)adamantane is CC1(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)adamantane?
The InChIKey is PSAOAIMYQGQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-13(2-3-13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3.
What are the key properties of 1-(1-methylcyclopropyl)adamantane?
1-(1-methylcyclopropyl)adamantane has a molecular weight of 190.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)adamantane is sourced from PubChem (CID 19371018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).