2-(cyclopentylmethyl)-3H-isoindol-1-imine

C14H18N2 — CID 43371148

IUPAC2-(cyclopentylmethyl)-3H-isoindol-1-imine
SMILES[H]/N=C1/c2ccccc2CN1CC1CCCC1
InChIInChI=1S/C14H18N2/c15-14-13-8-4-3-7-12(13)10-16(14)9-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/b15-14-
InChIKeyDWKPPCNYEQRDSO-PFONDFGASA-N
MW214.31 g/mol
LogP3.02
Rot. Bonds2

About 2-(cyclopentylmethyl)-3H-isoindol-1-imine

2-(cyclopentylmethyl)-3H-isoindol-1-imine (PubChem CID 43371148) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3H-isoindol-1-imine
PubChem CID43371148
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclopentylmethyl)-3H-isoindol-1-imine
SMILES[H]/N=C1/c2ccccc2CN1CC1CCCC1
InChIInChI=1S/C14H18N2/c15-14-13-8-4-3-7-12(13)10-16(14)9-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/b15-14-
InChIKeyDWKPPCNYEQRDSO-PFONDFGASA-N
XLogP3.02
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.02
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-(cyclopentylmethyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(cyclopentylmethyl)-3H-isoindol-1-imine (CID 43371148) is 2-(cyclopentylmethyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(cyclopentylmethyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(cyclopentylmethyl)-3H-isoindol-1-imine is [H]/N=C1/c2ccccc2CN1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-3H-isoindol-1-imine?
The InChIKey is DWKPPCNYEQRDSO-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2/c15-14-13-8-4-3-7-12(13)10-16(14)9-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/b15-14-.
What are the key properties of 2-(cyclopentylmethyl)-3H-isoindol-1-imine?
2-(cyclopentylmethyl)-3H-isoindol-1-imine has a molecular weight of 214.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3H-isoindol-1-imine is sourced from PubChem (CID 43371148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).