(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine

C18H36N2O — CID 11055564

IUPAC(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C18H36N2O/c1-6-8-15(2)11-16(3)12-17(4)13-19-20-10-7-9-18(20)14-21-5/h13,15-18H,6-12,14H2,1-5H3/b19-13+/t15-,16-,17-,18-/m0/s1
InChIKeyLESBGBZGNREXLH-WMIBTEETSA-N
MW296.50 g/mol
LogP4.57
Rot. Bonds10

About (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine

(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine (PubChem CID 11055564) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine.

Molecular Properties

Compound Name(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine
PubChem CID11055564
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C18H36N2O/c1-6-8-15(2)11-16(3)12-17(4)13-19-20-10-7-9-18(20)14-21-5/h13,15-18H,6-12,14H2,1-5H3/b19-13+/t15-,16-,17-,18-/m0/s1
InChIKeyLESBGBZGNREXLH-WMIBTEETSA-N
XLogP4.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-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 (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine?
The IUPAC name of (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine (CID 11055564) is (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine.
What is the SMILES notation for (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine?
The canonical SMILES for (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine is CCC[C@H](C)C[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC.
What is the InChIKey of (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine?
The InChIKey is LESBGBZGNREXLH-WMIBTEETSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-8-15(2)11-16(3)12-17(4)13-19-20-10-7-9-18(20)14-21-5/h13,15-18H,6-12,14H2,1-5H3/b19-13+/t15-,16-,17-,18-/m0/s1.
What are the key properties of (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine?
(E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine has a molecular weight of 296.50 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4,6-trimethylnonan-1-imine is sourced from PubChem (CID 11055564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).