1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

C18H29N — CID 55195887

IUPAC1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N/c1-19-17(16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h5,13-15,17,19H,2-4,6-12H2,1H3
InChIKeyHLFGPLYCIQFFCJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.29
Rot. Bonds3

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

1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (PubChem CID 55195887) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
PubChem CID55195887
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N/c1-19-17(16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h5,13-15,17,19H,2-4,6-12H2,1H3
InChIKeyHLFGPLYCIQFFCJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (CID 55195887) is 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is CNC(C1=CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The InChIKey is HLFGPLYCIQFFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-19-17(16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h5,13-15,17,19H,2-4,6-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 55195887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).