4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H28N4O4 — CID 167741802

IUPAC4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C12CCC(CC1)C2
InChIInChI=1S/C23H28N4O4/c24-17(23-8-6-13(10-23)7-9-23)12-25-11-14-2-1-3-15-19(14)22(31)27(21(15)30)16-4-5-18(28)26-20(16)29/h1-3,13,16-17,25H,4-12,24H2,(H,26,28,29)
InChIKeyKCHMYQVBDTXABK-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.09
Rot. Bonds6

About 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167741802) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167741802
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C12CCC(CC1)C2
InChIInChI=1S/C23H28N4O4/c24-17(23-8-6-13(10-23)7-9-23)12-25-11-14-2-1-3-15-19(14)22(31)27(21(15)30)16-4-5-18(28)26-20(16)29/h1-3,13,16-17,25H,4-12,24H2,(H,26,28,29)
InChIKeyKCHMYQVBDTXABK-UHFFFAOYSA-N
XLogP1.09
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742011
4-[[(2-amino-3,3,3-trifluoropropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741997
4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724858
4-[[[(Z)-4-aminobut-2-enyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724884
4-[(4-aminoheptylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716843
4-[[(2-aminospiro[2.3]hexan-5-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167715111
4-[[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742462
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741043
4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734587
4-[(5-azaspiro[3.4]octan-7-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728604

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167741802) is 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C12CCC(CC1)C2.
What is the InChIKey of 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KCHMYQVBDTXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c24-17(23-8-6-13(10-23)7-9-23)12-25-11-14-2-1-3-15-19(14)22(31)27(21(15)30)16-4-5-18(28)26-20(16)29/h1-3,13,16-17,25H,4-12,24H2,(H,26,28,29).
What are the key properties of 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 424.50 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167741802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).