(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine

C10H21NO3 — CID 172975105

IUPAC(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine
SMILESCCCOC/C(C)=N\OC[C@H](C)OC
InChIInChI=1S/C10H21NO3/c1-5-6-13-7-9(2)11-14-8-10(3)12-4/h10H,5-8H2,1-4H3/b11-9-/t10-/m0/s1
InChIKeySZULVTSJPZBUCL-RGAIUGGKSA-N
MW203.28 g/mol
LogP1.84
Rot. Bonds8

About (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine

(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine (PubChem CID 172975105) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine
PubChem CID172975105
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine
SMILESCCCOC/C(C)=N\OC[C@H](C)OC
InChIInChI=1S/C10H21NO3/c1-5-6-13-7-9(2)11-14-8-10(3)12-4/h10H,5-8H2,1-4H3/b11-9-/t10-/m0/s1
InChIKeySZULVTSJPZBUCL-RGAIUGGKSA-N
XLogP1.84
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine?
The IUPAC name of (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine (CID 172975105) is (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine?
The canonical SMILES for (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine is CCCOC/C(C)=N\OC[C@H](C)OC.
What is the InChIKey of (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine?
The InChIKey is SZULVTSJPZBUCL-RGAIUGGKSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-6-13-7-9(2)11-14-8-10(3)12-4/h10H,5-8H2,1-4H3/b11-9-/t10-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine?
(Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine has a molecular weight of 203.28 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-methoxypropoxy]-1-propoxypropan-2-imine is sourced from PubChem (CID 172975105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).