1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine

C20H28N2 — CID 82163792

IUPAC1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H28N2/c1-21-11-14-2-3-18-12-22(13-19(18)7-14)20-8-15-4-16(9-20)6-17(5-15)10-20/h2-3,7,15-17,21H,4-6,8-13H2,1H3
InChIKeySUGLFIBJQDXPKY-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine

1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine (PubChem CID 82163792) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
PubChem CID82163792
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H28N2/c1-21-11-14-2-3-18-12-22(13-19(18)7-14)20-8-15-4-16(9-20)6-17(5-15)10-20/h2-3,7,15-17,21H,4-6,8-13H2,1H3
InChIKeySUGLFIBJQDXPKY-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
CID 82163744
5-(methylaminomethyl)-1,3-dihydroisoindole-2-carbaldehyde
CID 175530808
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
CID 82163795
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 82163784
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
CID 82163765
(2E)-1-(1-adamantyl)-2-[3,3-dimethyl-7-(methylaminomethyl)-2,4-dihydroisoquinolin-1-ylidene]ethanone
CID 22290722
6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193207
1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine
CID 55120680
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
N-methyl-1-(2-methylidene-1,3-dihydroindol-5-yl)methanamine
CID 161203185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine (CID 82163792) is 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine is CNCc1ccc2c(c1)CN(C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The InChIKey is SUGLFIBJQDXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-21-11-14-2-3-18-12-22(13-19(18)7-14)20-8-15-4-16(9-20)6-17(5-15)10-20/h2-3,7,15-17,21H,4-6,8-13H2,1H3.
What are the key properties of 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine has a molecular weight of 296.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-1,3-dihydroisoindol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82163792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).