2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol

C17H23NO — CID 135513792

IUPAC2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@H]1CCC[C@H]1C1CCCC1
InChIInChI=1S/C17H23NO/c19-17-11-4-3-8-14(17)12-18-16-10-5-9-15(16)13-6-1-2-7-13/h3-4,8,11-13,15-16,19H,1-2,5-7,9-10H2/b18-12+/t15-,16-/m0/s1
InChIKeyCERMOGQPKNDSJZ-COGMNKOPSA-N
MW257.38 g/mol
LogP4.17
Rot. Bonds3

About 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol

2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol (PubChem CID 135513792) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
PubChem CID135513792
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@H]1CCC[C@H]1C1CCCC1
InChIInChI=1S/C17H23NO/c19-17-11-4-3-8-14(17)12-18-16-10-5-9-15(16)13-6-1-2-7-13/h3-4,8,11-13,15-16,19H,1-2,5-7,9-10H2/b18-12+/t15-,16-/m0/s1
InChIKeyCERMOGQPKNDSJZ-COGMNKOPSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol (CID 135513792) is 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol is Oc1ccccc1/C=N/[C@H]1CCC[C@H]1C1CCCC1.
What is the InChIKey of 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol?
The InChIKey is CERMOGQPKNDSJZ-COGMNKOPSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-11-4-3-8-14(17)12-18-16-10-5-9-15(16)13-6-1-2-7-13/h3-4,8,11-13,15-16,19H,1-2,5-7,9-10H2/b18-12+/t15-,16-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol?
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol has a molecular weight of 257.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol is sourced from PubChem (CID 135513792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).