1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine

C18H32N2 — CID 63467939

IUPAC1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCNC(CN1CCC(C)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2/c1-13-3-4-20(11-13)12-17(19-2)18-8-14-5-15(9-18)7-16(6-14)10-18/h13-17,19H,3-12H2,1-2H3
InChIKeyWWCGISGHZZLNQT-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.13
Rot. Bonds4

About 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine

1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine (PubChem CID 63467939) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine
PubChem CID63467939
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCNC(CN1CCC(C)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2/c1-13-3-4-20(11-13)12-17(19-2)18-8-14-5-15(9-18)7-16(6-14)10-18/h13-17,19H,3-12H2,1-2H3
InChIKeyWWCGISGHZZLNQT-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine (CID 63467939) is 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine is CNC(CN1CCC(C)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is WWCGISGHZZLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-3-4-20(11-13)12-17(19-2)18-8-14-5-15(9-18)7-16(6-14)10-18/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine?
1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 276.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63467939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).