(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine

C17H25N3O — CID 173367055

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCCC1c1cccnc1
InChIInChI=1S/C17H25N3O/c1-21-13-15-7-5-11-20(15)19-17-9-3-2-8-16(17)14-6-4-10-18-12-14/h4,6,10,12,15-16H,2-3,5,7-9,11,13H2,1H3/b19-17+/t15-,16?/m0/s1
InChIKeyXRWUKJHETPKNRF-AISNPFJRSA-N
MW287.41 g/mol
LogP3.21
Rot. Bonds4

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine (PubChem CID 173367055) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine
PubChem CID173367055
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCCC1c1cccnc1
InChIInChI=1S/C17H25N3O/c1-21-13-15-7-5-11-20(15)19-17-9-3-2-8-16(17)14-6-4-10-18-12-14/h4,6,10,12,15-16H,2-3,5,7-9,11,13H2,1H3/b19-17+/t15-,16?/m0/s1
InChIKeyXRWUKJHETPKNRF-AISNPFJRSA-N
XLogP3.21
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine (CID 173367055) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine is COC[C@@H]1CCCN1/N=C1\CCCCC1c1cccnc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine?
The InChIKey is XRWUKJHETPKNRF-AISNPFJRSA-N. The full InChI is InChI=1S/C17H25N3O/c1-21-13-15-7-5-11-20(15)19-17-9-3-2-8-16(17)14-6-4-10-18-12-14/h4,6,10,12,15-16H,2-3,5,7-9,11,13H2,1H3/b19-17+/t15-,16?/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine has a molecular weight of 287.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine is sourced from PubChem (CID 173367055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).