2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine

C13H20N2 — CID 51885650

IUPAC2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine
SMILESCCC[C@@H](C)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2/c1-3-4-10(2)15-8-11-5-6-13(14)7-12(11)9-15/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-/m1/s1
InChIKeyLWEMKKALZMPTTA-SNVBAGLBSA-N
MW204.32 g/mol
LogP2.77
Rot. Bonds3

About 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine

2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine (PubChem CID 51885650) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine
PubChem CID51885650
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine
SMILESCCC[C@@H](C)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2/c1-3-4-10(2)15-8-11-5-6-13(14)7-12(11)9-15/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-/m1/s1
InChIKeyLWEMKKALZMPTTA-SNVBAGLBSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine (CID 51885650) is 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine is CCC[C@@H](C)N1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine?
The InChIKey is LWEMKKALZMPTTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-10(2)15-8-11-5-6-13(14)7-12(11)9-15/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine?
2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine has a molecular weight of 204.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pentan-2-yl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 51885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).