1-(2-adamantyl)-N-methylethanamine

C13H23N — CID 10058442

IUPAC1-(2-adamantyl)-N-methylethanamine
SMILESCNC(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N/c1-8(14-2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-14H,3-7H2,1-2H3
InChIKeyKYFBJODZLRBIAJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.67
Rot. Bonds2

About 1-(2-adamantyl)-N-methylethanamine

1-(2-adamantyl)-N-methylethanamine (PubChem CID 10058442) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-methylethanamine
PubChem CID10058442
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2-adamantyl)-N-methylethanamine
SMILESCNC(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N/c1-8(14-2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-14H,3-7H2,1-2H3
InChIKeyKYFBJODZLRBIAJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-methylethanamine?
The IUPAC name of 1-(2-adamantyl)-N-methylethanamine (CID 10058442) is 1-(2-adamantyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-methylethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-methylethanamine is CNC(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-methylethanamine?
The InChIKey is KYFBJODZLRBIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(14-2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-14H,3-7H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-N-methylethanamine?
1-(2-adamantyl)-N-methylethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-methylethanamine is sourced from PubChem (CID 10058442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).