1-butan-2-yladamantane

C14H24 — CID 518950

IUPAC1-butan-2-yladamantane
SMILESCCC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,3-9H2,1-2H3
InChIKeyJEURJPFZYYKZIK-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.25
Rot. Bonds2

About 1-butan-2-yladamantane

1-butan-2-yladamantane (PubChem CID 518950) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-butan-2-yladamantane.

Molecular Properties

Compound Name1-butan-2-yladamantane
PubChem CID518950
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-butan-2-yladamantane
SMILESCCC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,3-9H2,1-2H3
InChIKeyJEURJPFZYYKZIK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yladamantane?
The IUPAC name of 1-butan-2-yladamantane (CID 518950) is 1-butan-2-yladamantane.
What is the SMILES notation for 1-butan-2-yladamantane?
The canonical SMILES for 1-butan-2-yladamantane is CCC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-butan-2-yladamantane?
The InChIKey is JEURJPFZYYKZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yladamantane?
1-butan-2-yladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yladamantane is sourced from PubChem (CID 518950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).