1-butyladamantane

C14H24 — CID 518949

IUPAC1-butyladamantane
SMILESCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,2-10H2,1H3
InChIKeyAZCUIXHZJHFUFI-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.39
Rot. Bonds3

About 1-butyladamantane

1-butyladamantane (PubChem CID 518949) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-butyladamantane.

Molecular Properties

Compound Name1-butyladamantane
PubChem CID518949
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-butyladamantane
SMILESCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,2-10H2,1H3
InChIKeyAZCUIXHZJHFUFI-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyladamantane?
The IUPAC name of 1-butyladamantane (CID 518949) is 1-butyladamantane.
What is the SMILES notation for 1-butyladamantane?
The canonical SMILES for 1-butyladamantane is CCCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-butyladamantane?
The InChIKey is AZCUIXHZJHFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-butyladamantane?
1-butyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyladamantane is sourced from PubChem (CID 518949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).