2-butyladamantane

C14H24 — CID 518951

IUPAC2-butyladamantane
SMILESCCCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3
InChIKeyZOQLCQXGZZFWAF-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.25
Rot. Bonds3

About 2-butyladamantane

2-butyladamantane (PubChem CID 518951) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-butyladamantane.

Molecular Properties

Compound Name2-butyladamantane
PubChem CID518951
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-butyladamantane
SMILESCCCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3
InChIKeyZOQLCQXGZZFWAF-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-butyladamantane 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

Adamantane
CID 9238
Phenanthrene, tetradecahydro-
CID 21971
Tetradecahydroanthracene
CID 93034
Perhydropyrene
CID 75524
1,3,5-Trimethyladamantane
CID 136552
1-Methyladamantane
CID 136607
1,3-Dimethyladamantane
CID 12800
Congressane
CID 123154
2-Methyladamantane
CID 136535
Decahydro-1,6-methanonaphthalene
CID 511452
Chrysene, octadecahydro-
CID 98460
2-Ethyladamantane
CID 139758

Frequently Asked Questions

What is the IUPAC name of 2-butyladamantane?
The IUPAC name of 2-butyladamantane (CID 518951) is 2-butyladamantane.
What is the SMILES notation for 2-butyladamantane?
The canonical SMILES for 2-butyladamantane is CCCCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-butyladamantane?
The InChIKey is ZOQLCQXGZZFWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3.
What are the key properties of 2-butyladamantane?
2-butyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyladamantane is sourced from PubChem (CID 518951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).