2-methyladamantane-1-carboxamide

C12H19NO — CID 18421545

IUPAC2-methyladamantane-1-carboxamide
SMILESCC1C2CC3CC(C2)CC1(C(N)=O)C3
InChIInChI=1S/C12H19NO/c1-7-10-3-8-2-9(4-10)6-12(7,5-8)11(13)14/h7-10H,2-6H2,1H3,(H2,13,14)
InChIKeyJYXKPXITIRWWIR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds1

About 2-methyladamantane-1-carboxamide

2-methyladamantane-1-carboxamide (PubChem CID 18421545) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyladamantane-1-carboxamide.

Molecular Properties

Compound Name2-methyladamantane-1-carboxamide
PubChem CID18421545
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyladamantane-1-carboxamide
SMILESCC1C2CC3CC(C2)CC1(C(N)=O)C3
InChIInChI=1S/C12H19NO/c1-7-10-3-8-2-9(4-10)6-12(7,5-8)11(13)14/h7-10H,2-6H2,1H3,(H2,13,14)
InChIKeyJYXKPXITIRWWIR-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyladamantane-1-carboxamide?
The IUPAC name of 2-methyladamantane-1-carboxamide (CID 18421545) is 2-methyladamantane-1-carboxamide.
What is the SMILES notation for 2-methyladamantane-1-carboxamide?
The canonical SMILES for 2-methyladamantane-1-carboxamide is CC1C2CC3CC(C2)CC1(C(N)=O)C3.
What is the InChIKey of 2-methyladamantane-1-carboxamide?
The InChIKey is JYXKPXITIRWWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-10-3-8-2-9(4-10)6-12(7,5-8)11(13)14/h7-10H,2-6H2,1H3,(H2,13,14).
What are the key properties of 2-methyladamantane-1-carboxamide?
2-methyladamantane-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantane-1-carboxamide is sourced from PubChem (CID 18421545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).