(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine

C20H38N2O2 — CID 135014109

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine
SMILESCC[C@H](C)CC1/C(=N\N2CCC[C@H]2COC)CC(C)(C)OC1(C)C
InChIInChI=1S/C20H38N2O2/c1-8-15(2)12-17-18(13-19(3,4)24-20(17,5)6)21-22-11-9-10-16(22)14-23-7/h15-17H,8-14H2,1-7H3/b21-18-/t15-,16-,17?/m0/s1
InChIKeySYOKAUHYQOIWLP-KBSQXHQNSA-N
MW338.54 g/mol
LogP4.48
Rot. Bonds6

About (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine (PubChem CID 135014109) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine
PubChem CID135014109
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine
SMILESCC[C@H](C)CC1/C(=N\N2CCC[C@H]2COC)CC(C)(C)OC1(C)C
InChIInChI=1S/C20H38N2O2/c1-8-15(2)12-17-18(13-19(3,4)24-20(17,5)6)21-22-11-9-10-16(22)14-23-7/h15-17H,8-14H2,1-7H3/b21-18-/t15-,16-,17?/m0/s1
InChIKeySYOKAUHYQOIWLP-KBSQXHQNSA-N
XLogP4.48
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-4-imine
CID 177488855
ethyl 2-[(4S,5E)-5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 177476406
(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
CID 10922226
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 177427534
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
ethyl (3S)-3-[(4S,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]-3-phenylpropanoate
CID 177430587
(E,E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-imine
CID 177407968
4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 101088592
(E,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-5-imine
CID 10811019
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
CID 11009150

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine (CID 135014109) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine is CC[C@H](C)CC1/C(=N\N2CCC[C@H]2COC)CC(C)(C)OC1(C)C.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine?
The InChIKey is SYOKAUHYQOIWLP-KBSQXHQNSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-8-15(2)12-17-18(13-19(3,4)24-20(17,5)6)21-22-11-9-10-16(22)14-23-7/h15-17H,8-14H2,1-7H3/b21-18-/t15-,16-,17?/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine has a molecular weight of 338.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-imine is sourced from PubChem (CID 135014109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).