(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine

C13H24N2O — CID 15649220

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCC[C@H]1C
InChIInChI=1S/C13H24N2O/c1-11-6-3-4-8-13(11)14-15-9-5-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13+/t11-,12+/m1/s1
InChIKeyQVLKYONNFLCKNC-WLLWQZAASA-N
MW224.35 g/mol
LogP2.66
Rot. Bonds3

About (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine (PubChem CID 15649220) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine
PubChem CID15649220
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCC[C@H]1C
InChIInChI=1S/C13H24N2O/c1-11-6-3-4-8-13(11)14-15-9-5-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13+/t11-,12+/m1/s1
InChIKeyQVLKYONNFLCKNC-WLLWQZAASA-N
XLogP2.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine (CID 15649220) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine is COC[C@@H]1CCCN1/N=C1\CCCC[C@H]1C.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine?
The InChIKey is QVLKYONNFLCKNC-WLLWQZAASA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-6-3-4-8-13(11)14-15-9-5-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13+/t11-,12+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine has a molecular weight of 224.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclohexan-1-imine is sourced from PubChem (CID 15649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).