1-(1-adamantyl)-N,N-dimethylethanamine

C14H25N — CID 2836008

IUPAC1-(1-adamantyl)-N,N-dimethylethanamine
SMILESCC(N(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-10(15(2)3)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,4-9H2,1-3H3
InChIKeyOOQVJPLFOITUKD-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.15
Rot. Bonds2

About 1-(1-adamantyl)-N,N-dimethylethanamine

1-(1-adamantyl)-N,N-dimethylethanamine (PubChem CID 2836008) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N,N-dimethylethanamine
PubChem CID2836008
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-(1-adamantyl)-N,N-dimethylethanamine
SMILESCC(N(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-10(15(2)3)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,4-9H2,1-3H3
InChIKeyOOQVJPLFOITUKD-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(1-adamantyl)-N,N-dimethylethanamine (CID 2836008) is 1-(1-adamantyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(1-adamantyl)-N,N-dimethylethanamine is CC(N(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N,N-dimethylethanamine?
The InChIKey is OOQVJPLFOITUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10(15(2)3)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N,N-dimethylethanamine?
1-(1-adamantyl)-N,N-dimethylethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N,N-dimethylethanamine is sourced from PubChem (CID 2836008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).