1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine

C19H34N2 — CID 61206248

IUPAC1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H34N2/c1-20-13-15-3-2-5-21(14-15)6-4-19-10-16-7-17(11-19)9-18(8-16)12-19/h15-18,20H,2-14H2,1H3
InChIKeyZVQAWDSNZIFTKT-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.52
Rot. Bonds5

About 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 61206248) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID61206248
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H34N2/c1-20-13-15-3-2-5-21(14-15)6-4-19-10-16-7-17(11-19)9-18(8-16)12-19/h15-18,20H,2-14H2,1H3
InChIKeyZVQAWDSNZIFTKT-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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Related Compounds

1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
CID 63510161
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
CID 61204024
3-[3-(methylaminomethyl)piperidin-1-yl]propanal
CID 63041305
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide
CID 131911363

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine (CID 61206248) is 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(CCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is ZVQAWDSNZIFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-20-13-15-3-2-5-21(14-15)6-4-19-10-16-7-17(11-19)9-18(8-16)12-19/h15-18,20H,2-14H2,1H3.
What are the key properties of 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine 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 1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61206248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).