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

C16H24N2 — CID 106008219

IUPAC2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CCCC1CCCC1)C2
InChIInChI=1S/C16H24N2/c17-16-9-3-8-14-11-18(12-15(14)16)10-4-7-13-5-1-2-6-13/h3,8-9,13H,1-2,4-7,10-12,17H2
InChIKeySHUWFHXIFAJUFI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.55
Rot. Bonds4

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

2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine (PubChem CID 106008219) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
PubChem CID106008219
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CCCC1CCCC1)C2
InChIInChI=1S/C16H24N2/c17-16-9-3-8-14-11-18(12-15(14)16)10-4-7-13-5-1-2-6-13/h3,8-9,13H,1-2,4-7,10-12,17H2
InChIKeySHUWFHXIFAJUFI-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261
2-[(3-methylcyclohexyl)methyl]-1,3-dihydroisoindol-4-amine
CID 114129993
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 62822959
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686424
2-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686573
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine (CID 106008219) is 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(CCCC1CCCC1)C2.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is SHUWFHXIFAJUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-16-9-3-8-14-11-18(12-15(14)16)10-4-7-13-5-1-2-6-13/h3,8-9,13H,1-2,4-7,10-12,17H2.
What are the key properties of 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine?
2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 244.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 106008219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).