N,2,2-trimethyladamantan-1-amine

C13H23N — CID 71461153

IUPACN,2,2-trimethyladamantan-1-amine
SMILESCNC12CC3CC(CC(C3)C1(C)C)C2
InChIInChI=1S/C13H23N/c1-12(2)11-5-9-4-10(6-11)8-13(12,7-9)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyUIXBANFTKWJKNI-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds1

About N,2,2-trimethyladamantan-1-amine

N,2,2-trimethyladamantan-1-amine (PubChem CID 71461153) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,2,2-trimethyladamantan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyladamantan-1-amine
PubChem CID71461153
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,2,2-trimethyladamantan-1-amine
SMILESCNC12CC3CC(CC(C3)C1(C)C)C2
InChIInChI=1S/C13H23N/c1-12(2)11-5-9-4-10(6-11)8-13(12,7-9)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyUIXBANFTKWJKNI-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyladamantan-1-amine?
The IUPAC name of N,2,2-trimethyladamantan-1-amine (CID 71461153) is N,2,2-trimethyladamantan-1-amine.
What is the SMILES notation for N,2,2-trimethyladamantan-1-amine?
The canonical SMILES for N,2,2-trimethyladamantan-1-amine is CNC12CC3CC(CC(C3)C1(C)C)C2.
What is the InChIKey of N,2,2-trimethyladamantan-1-amine?
The InChIKey is UIXBANFTKWJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2)11-5-9-4-10(6-11)8-13(12,7-9)14-3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N,2,2-trimethyladamantan-1-amine?
N,2,2-trimethyladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyladamantan-1-amine is sourced from PubChem (CID 71461153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).