3,5-dimethyladamantane-1-carboxamide

C13H21NO — CID 2834546

IUPAC3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C13H21NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H2,14,15)
InChIKeyHZWMHZAOCNZQTA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds1

About 3,5-dimethyladamantane-1-carboxamide

3,5-dimethyladamantane-1-carboxamide (PubChem CID 2834546) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyladamantane-1-carboxamide
PubChem CID2834546
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C13H21NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H2,14,15)
InChIKeyHZWMHZAOCNZQTA-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethyladamantane-1-carboxamide 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

Tricyclo(3.3.1.13,7)decane-1-carboxamide
CID 21686
2-(1-adamantyl)-N-hydroxyacetamide
CID 2771140
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, 3-bromo-
CID 64374
1,3-Adamantanediacetamide
CID 541702
3,5,7-Trimethyl-1-adamantanecarboxamide
CID 2834336
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N,N-Dimethyl-1-adamantylcarboxamide
CID 137044
1-Adamantaneacetamide, 2-oxo-
CID 64248
Bicyclo[3.3.1]nonane-1-carboxamide
CID 727247
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-
CID 516772
Tricyclo(3.3.1.13,7)decan-1-acetamide
CID 86819
n-Hydroxyadamantane-1-carboxamide
CID 703015

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyladamantane-1-carboxamide (CID 2834546) is 3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of 3,5-dimethyladamantane-1-carboxamide?
The InChIKey is HZWMHZAOCNZQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 3,5-dimethyladamantane-1-carboxamide?
3,5-dimethyladamantane-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 2834546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).