1-(1-adamantyl)-N-methylmethanamine

C12H21N — CID 3010130

IUPAC1-(1-adamantyl)-N-methylmethanamine
SMILESCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3
InChIKeyDQSIEXZABIATEF-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-adamantyl)-N-methylmethanamine

1-(1-adamantyl)-N-methylmethanamine (PubChem CID 3010130) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methylmethanamine
PubChem CID3010130
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(1-adamantyl)-N-methylmethanamine
SMILESCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3
InChIKeyDQSIEXZABIATEF-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methylmethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methylmethanamine (CID 3010130) is 1-(1-adamantyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methylmethanamine is CNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methylmethanamine?
The InChIKey is DQSIEXZABIATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-methylmethanamine?
1-(1-adamantyl)-N-methylmethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methylmethanamine is sourced from PubChem (CID 3010130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).