adamantane;2-methylpropane

C14H26 — CID 23295562

IUPACadamantane;2-methylpropane
SMILESC1C2CC3CC1CC(C2)C3.CC(C)C
InChIInChI=1S/C10H16.C4H10/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3/h7-10H,1-6H2;4H,1-3H3
InChIKeyAKENPGKLTAAUIQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds

About adamantane;2-methylpropane

adamantane;2-methylpropane (PubChem CID 23295562) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is adamantane;2-methylpropane.

Molecular Properties

Compound Nameadamantane;2-methylpropane
PubChem CID23295562
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameadamantane;2-methylpropane
SMILESC1C2CC3CC1CC(C2)C3.CC(C)C
InChIInChI=1S/C10H16.C4H10/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3/h7-10H,1-6H2;4H,1-3H3
InChIKeyAKENPGKLTAAUIQ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;2-methylpropane?
The IUPAC name of adamantane;2-methylpropane (CID 23295562) is adamantane;2-methylpropane.
What is the SMILES notation for adamantane;2-methylpropane?
The canonical SMILES for adamantane;2-methylpropane is C1C2CC3CC1CC(C2)C3.CC(C)C.
What is the InChIKey of adamantane;2-methylpropane?
The InChIKey is AKENPGKLTAAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H10/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3/h7-10H,1-6H2;4H,1-3H3.
What are the key properties of adamantane;2-methylpropane?
adamantane;2-methylpropane has a molecular weight of 194.36 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;2-methylpropane is sourced from PubChem (CID 23295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).