N-benzyl-3-phenylmethoxycyclopentan-1-imine

C19H21NO — CID 70608140

IUPACN-benzyl-3-phenylmethoxycyclopentan-1-imine
SMILESc1ccc(C/N=C2\CCC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2/b20-18+
InChIKeyDPYBSWIDBBUNCA-CZIZESTLSA-N
MW279.38 g/mol
LogP4.40
Rot. Bonds5

About N-benzyl-3-phenylmethoxycyclopentan-1-imine

N-benzyl-3-phenylmethoxycyclopentan-1-imine (PubChem CID 70608140) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-benzyl-3-phenylmethoxycyclopentan-1-imine.

Molecular Properties

Compound NameN-benzyl-3-phenylmethoxycyclopentan-1-imine
PubChem CID70608140
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-benzyl-3-phenylmethoxycyclopentan-1-imine
SMILESc1ccc(C/N=C2\CCC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2/b20-18+
InChIKeyDPYBSWIDBBUNCA-CZIZESTLSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-3-phenylmethoxycyclopentan-1-imine 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 N-benzyl-3-phenylmethoxycyclopentan-1-imine?
The IUPAC name of N-benzyl-3-phenylmethoxycyclopentan-1-imine (CID 70608140) is N-benzyl-3-phenylmethoxycyclopentan-1-imine.
What is the SMILES notation for N-benzyl-3-phenylmethoxycyclopentan-1-imine?
The canonical SMILES for N-benzyl-3-phenylmethoxycyclopentan-1-imine is c1ccc(C/N=C2\CCC(OCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-phenylmethoxycyclopentan-1-imine?
The InChIKey is DPYBSWIDBBUNCA-CZIZESTLSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2/b20-18+.
What are the key properties of N-benzyl-3-phenylmethoxycyclopentan-1-imine?
N-benzyl-3-phenylmethoxycyclopentan-1-imine has a molecular weight of 279.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenylmethoxycyclopentan-1-imine is sourced from PubChem (CID 70608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).