2-cyclopentyl-3H-isoindol-1-imine;hydrochloride

C13H17ClN2 — CID 155943605

IUPAC2-cyclopentyl-3H-isoindol-1-imine;hydrochloride
SMILESCl.[H]/N=C1\c2ccccc2CN1C1CCCC1
InChIInChI=1S/C13H16N2.ClH/c14-13-12-8-4-1-5-10(12)9-15(13)11-6-2-3-7-11;/h1,4-5,8,11,14H,2-3,6-7,9H2;1H/b14-13+;
InChIKeyFQAKXELOYWOGAQ-IERUDJENSA-N
MW236.75 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride

2-cyclopentyl-3H-isoindol-1-imine;hydrochloride (PubChem CID 155943605) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-3H-isoindol-1-imine;hydrochloride
PubChem CID155943605
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-cyclopentyl-3H-isoindol-1-imine;hydrochloride
SMILESCl.[H]/N=C1\c2ccccc2CN1C1CCCC1
InChIInChI=1S/C13H16N2.ClH/c14-13-12-8-4-1-5-10(12)9-15(13)11-6-2-3-7-11;/h1,4-5,8,11,14H,2-3,6-7,9H2;1H/b14-13+;
InChIKeyFQAKXELOYWOGAQ-IERUDJENSA-N
XLogP3.19
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride?
The IUPAC name of 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride (CID 155943605) is 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride?
The canonical SMILES for 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride is Cl.[H]/N=C1\c2ccccc2CN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride?
The InChIKey is FQAKXELOYWOGAQ-IERUDJENSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c14-13-12-8-4-1-5-10(12)9-15(13)11-6-2-3-7-11;/h1,4-5,8,11,14H,2-3,6-7,9H2;1H/b14-13+;.
What are the key properties of 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride?
2-cyclopentyl-3H-isoindol-1-imine;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3H-isoindol-1-imine;hydrochloride is sourced from PubChem (CID 155943605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).