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

C16H30N2O — CID 15222747

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCCCCC[C@H]1C
InChIInChI=1S/C16H30N2O/c1-14-9-6-4-3-5-7-11-16(14)17-18-12-8-10-15(18)13-19-2/h14-15H,3-13H2,1-2H3/b17-16+/t14-,15+/m1/s1
InChIKeyDJIVCONKSGYHCV-BPEGEEEXSA-N
MW266.43 g/mol
LogP3.83
Rot. Bonds3

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

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine (PubChem CID 15222747) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine
PubChem CID15222747
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCCCCC[C@H]1C
InChIInChI=1S/C16H30N2O/c1-14-9-6-4-3-5-7-11-16(14)17-18-12-8-10-15(18)13-19-2/h14-15H,3-13H2,1-2H3/b17-16+/t14-,15+/m1/s1
InChIKeyDJIVCONKSGYHCV-BPEGEEEXSA-N
XLogP3.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.83
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-methylcyclononan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine (CID 15222747) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine is COC[C@@H]1CCCN1/N=C1\CCCCCCC[C@H]1C.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine?
The InChIKey is DJIVCONKSGYHCV-BPEGEEEXSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-9-6-4-3-5-7-11-16(14)17-18-12-8-10-15(18)13-19-2/h14-15H,3-13H2,1-2H3/b17-16+/t14-,15+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylcyclononan-1-imine has a molecular weight of 266.43 g/mol, XLogP of 3.83, 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-methylcyclononan-1-imine is sourced from PubChem (CID 15222747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).