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

C15H30N2O — CID 10999622

IUPAC(E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine
SMILESCCC[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C15H30N2O/c1-5-7-13(2)10-14(3)11-16-17-9-6-8-15(17)12-18-4/h11,13-15H,5-10,12H2,1-4H3/b16-11+/t13-,14-,15-/m0/s1
InChIKeyIEDOAQZLQNIVOU-LLSPYPMZSA-N
MW254.42 g/mol
LogP3.55
Rot. Bonds8

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

(E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine (PubChem CID 10999622) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine.

Molecular Properties

Compound Name(E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine
PubChem CID10999622
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine
SMILESCCC[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C15H30N2O/c1-5-7-13(2)10-14(3)11-16-17-9-6-8-15(17)12-18-4/h11,13-15H,5-10,12H2,1-4H3/b16-11+/t13-,14-,15-/m0/s1
InChIKeyIEDOAQZLQNIVOU-LLSPYPMZSA-N
XLogP3.55
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-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)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine?
The IUPAC name of (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine (CID 10999622) is (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine.
What is the SMILES notation for (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine?
The canonical SMILES for (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine is CCC[C@H](C)C[C@H](C)/C=N/N1CCC[C@H]1COC.
What is the InChIKey of (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine?
The InChIKey is IEDOAQZLQNIVOU-LLSPYPMZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-13(2)10-14(3)11-16-17-9-6-8-15(17)12-18-4/h11,13-15H,5-10,12H2,1-4H3/b16-11+/t13-,14-,15-/m0/s1.
What are the key properties of (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine?
(E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine has a molecular weight of 254.42 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,4S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylheptan-1-imine is sourced from PubChem (CID 10999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).