(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine

C17H34N2O — CID 134876840

IUPAC(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
SMILESCCCCCC[C@@H](C)/C(CC)=N/N1CCC[C@H]1COC
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-11-15(3)17(6-2)18-19-13-10-12-16(19)14-20-4/h15-16H,5-14H2,1-4H3/b18-17+/t15-,16+/m1/s1
InChIKeyYFQWQXMSZNKRJD-ILCIMCFISA-N
MW282.47 g/mol
LogP4.47
Rot. Bonds10

About (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine

(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine (PubChem CID 134876840) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine.

Molecular Properties

Compound Name(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
PubChem CID134876840
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
SMILESCCCCCC[C@@H](C)/C(CC)=N/N1CCC[C@H]1COC
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-11-15(3)17(6-2)18-19-13-10-12-16(19)14-20-4/h15-16H,5-14H2,1-4H3/b18-17+/t15-,16+/m1/s1
InChIKeyYFQWQXMSZNKRJD-ILCIMCFISA-N
XLogP4.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
CID 11279331
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(3S,5S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,5-dimethyl-1,8-bis(trimethylsilyloxy)octan-4-imine
CID 44631189
(4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dipropyl-1,9-bis(trimethylsilyloxy)nonan-5-imine
CID 15722700
(E,3S)-3-[(Z)-dodec-9-enyl]sulfanyl-1,1,1-trifluoro-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 102079963
(Z,2S)-12-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenyldodecan-1-imine
CID 11027688
(Z,5S)-5-[(1R)-1-diethoxyphosphorylethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,6-dimethylheptan-3-imine
CID 177436167
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 10913562
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
CID 10809024
CID 10809024

Frequently Asked Questions

What is the IUPAC name of (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine?
The IUPAC name of (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine (CID 134876840) is (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine.
What is the SMILES notation for (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine?
The canonical SMILES for (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine is CCCCCC[C@@H](C)/C(CC)=N/N1CCC[C@H]1COC.
What is the InChIKey of (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine?
The InChIKey is YFQWQXMSZNKRJD-ILCIMCFISA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-7-8-9-11-15(3)17(6-2)18-19-13-10-12-16(19)14-20-4/h15-16H,5-14H2,1-4H3/b18-17+/t15-,16+/m1/s1.
What are the key properties of (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine?
(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine has a molecular weight of 282.47 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine is sourced from PubChem (CID 134876840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).