2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C19H34N2 — CID 79702615

IUPAC2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCC12CC3CC(CC(C3)C1)C2)CC1CCNCC1
InChIInChI=1S/C19H34N2/c1-21(14-15-2-5-20-6-3-15)7-4-19-11-16-8-17(12-19)10-18(9-16)13-19/h15-18,20H,2-14H2,1H3
InChIKeyMCIPVQBBFUQRGU-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.52
Rot. Bonds5

About 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79702615) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79702615
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CCC12CC3CC(CC(C3)C1)C2)CC1CCNCC1
InChIInChI=1S/C19H34N2/c1-21(14-15-2-5-20-6-3-15)7-4-19-11-16-8-17(12-19)10-18(9-16)13-19/h15-18,20H,2-14H2,1H3
InChIKeyMCIPVQBBFUQRGU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 79702615) is 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is CN(CCC12CC3CC(CC(C3)C1)C2)CC1CCNCC1.
What is the InChIKey of 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is MCIPVQBBFUQRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-21(14-15-2-5-20-6-3-15)7-4-19-11-16-8-17(12-19)10-18(9-16)13-19/h15-18,20H,2-14H2,1H3.
What are the key properties of 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 290.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79702615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).