2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C14H24N2O2 — CID 63764277

IUPAC2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCCC(CC)(CN)N1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C14H24N2O2/c1-3-14(4-2,9-15)16-12(17)10-7-5-6-8-11(10)13(16)18/h10-11H,3-9,15H2,1-2H3
InChIKeyDEJOYVHBTYMTFI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 63764277) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID63764277
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCCC(CC)(CN)N1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C14H24N2O2/c1-3-14(4-2,9-15)16-12(17)10-7-5-6-8-11(10)13(16)18/h10-11H,3-9,15H2,1-2H3
InChIKeyDEJOYVHBTYMTFI-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 63764277) is 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CCC(CC)(CN)N1C(=O)C2CCCCC2C1=O.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is DEJOYVHBTYMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-14(4-2,9-15)16-12(17)10-7-5-6-8-11(10)13(16)18/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 252.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 63764277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).