2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine

C17H29N3 — CID 82544662

IUPAC2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1Cc2ccc(C(C)(C)C)cc2C1CN
InChIInChI=1S/C17H29N3/c1-17(2,3)14-7-6-13-12-20(9-8-19(4)5)16(11-18)15(13)10-14/h6-7,10,16H,8-9,11-12,18H2,1-5H3
InChIKeyYXGXAOGGKBXLDT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine

2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine (PubChem CID 82544662) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
PubChem CID82544662
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1Cc2ccc(C(C)(C)C)cc2C1CN
InChIInChI=1S/C17H29N3/c1-17(2,3)14-7-6-13-12-20(9-8-19(4)5)16(11-18)15(13)10-14/h6-7,10,16H,8-9,11-12,18H2,1-5H3
InChIKeyYXGXAOGGKBXLDT-UHFFFAOYSA-N
XLogP2.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
CID 82545451
[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82544636
3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 82545798
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
3-(aminomethyl)-2-(3-imidazol-1-ylpropyl)-N,N-dimethyl-1,3-dihydroisoindol-5-amine
CID 82544969
[6-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545753
1-(aminomethyl)-7-tert-butyl-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 134126463
[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584814
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82128928
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine (CID 82544662) is 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine is CN(C)CCN1Cc2ccc(C(C)(C)C)cc2C1CN.
What is the InChIKey of 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The InChIKey is YXGXAOGGKBXLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,3)14-7-6-13-12-20(9-8-19(4)5)16(11-18)15(13)10-14/h6-7,10,16H,8-9,11-12,18H2,1-5H3.
What are the key properties of 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82544662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).