N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine

C16H22N2O3 — CID 10589584

IUPACN-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1N=C1COC(c2ccccc2)OC1
InChIInChI=1S/C16H22N2O3/c1-19-12-15-8-5-9-18(15)17-14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,15-16H,5,8-12H2,1H3/b17-14-/t15-,16?/m1/s1
InChIKeyPIUAKFGZUVOXBN-ILJNGWOYSA-N
MW290.36 g/mol
LogP2.20
Rot. Bonds4

About N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine

N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine (PubChem CID 10589584) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine.

Molecular Properties

Compound NameN-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
PubChem CID10589584
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1N=C1COC(c2ccccc2)OC1
InChIInChI=1S/C16H22N2O3/c1-19-12-15-8-5-9-18(15)17-14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,15-16H,5,8-12H2,1H3/b17-14-/t15-,16?/m1/s1
InChIKeyPIUAKFGZUVOXBN-ILJNGWOYSA-N
XLogP2.20
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E,2S,4R,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-imine
CID 11024393
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
CID 123830481
4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 101088592
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine
CID 173367055
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-4-imine
CID 177488855
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
CID 12977363
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
CID 11009150
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
CID 10922226

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine?
The IUPAC name of N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine (CID 10589584) is N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine.
What is the SMILES notation for N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine?
The canonical SMILES for N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine is COC[C@H]1CCCN1N=C1COC(c2ccccc2)OC1.
What is the InChIKey of N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine?
The InChIKey is PIUAKFGZUVOXBN-ILJNGWOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-19-12-15-8-5-9-18(15)17-14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,15-16H,5,8-12H2,1H3/b17-14-/t15-,16?/m1/s1.
What are the key properties of N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine?
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine has a molecular weight of 290.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine is sourced from PubChem (CID 10589584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).