2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine

C14H20N2 — CID 63281550

IUPAC2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine
SMILESCC1CCCC1N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H20N2/c1-10-4-2-7-14(10)16-8-11-5-3-6-13(15)12(11)9-16/h3,5-6,10,14H,2,4,7-9,15H2,1H3
InChIKeyGFMYMHZEGTYMCT-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.77
Rot. Bonds1

About 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine

2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine (PubChem CID 63281550) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine
PubChem CID63281550
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine
SMILESCC1CCCC1N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H20N2/c1-10-4-2-7-14(10)16-8-11-5-3-6-13(15)12(11)9-16/h3,5-6,10,14H,2,4,7-9,15H2,1H3
InChIKeyGFMYMHZEGTYMCT-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine (CID 63281550) is 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine is CC1CCCC1N1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is GFMYMHZEGTYMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-4-2-7-14(10)16-8-11-5-3-6-13(15)12(11)9-16/h3,5-6,10,14H,2,4,7-9,15H2,1H3.
What are the key properties of 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine?
2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 216.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 63281550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).