(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine

C14H27N3O — CID 177482292

IUPAC(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine
SMILESCCC1CN(C)CC/C1=N\N1CCC[C@H]1COC
InChIInChI=1S/C14H27N3O/c1-4-12-10-16(2)9-7-14(12)15-17-8-5-6-13(17)11-18-3/h12-13H,4-11H2,1-3H3/b15-14+/t12?,13-/m0/s1
InChIKeyGGNKHCUMVXDGRI-UQKHAIIWSA-N
MW253.39 g/mol
LogP1.81
Rot. Bonds4

About (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine

(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine (PubChem CID 177482292) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine.

Molecular Properties

Compound Name(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine
PubChem CID177482292
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine
SMILESCCC1CN(C)CC/C1=N\N1CCC[C@H]1COC
InChIInChI=1S/C14H27N3O/c1-4-12-10-16(2)9-7-14(12)15-17-8-5-6-13(17)11-18-3/h12-13H,4-11H2,1-3H3/b15-14+/t12?,13-/m0/s1
InChIKeyGGNKHCUMVXDGRI-UQKHAIIWSA-N
XLogP1.81
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.81
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)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine?
The IUPAC name of (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine (CID 177482292) is (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine.
What is the SMILES notation for (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine?
The canonical SMILES for (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine is CCC1CN(C)CC/C1=N\N1CCC[C@H]1COC.
What is the InChIKey of (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine?
The InChIKey is GGNKHCUMVXDGRI-UQKHAIIWSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-12-10-16(2)9-7-14(12)15-17-8-5-6-13(17)11-18-3/h12-13H,4-11H2,1-3H3/b15-14+/t12?,13-/m0/s1.
What are the key properties of (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine?
(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine has a molecular weight of 253.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine is sourced from PubChem (CID 177482292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).