(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol

C11H22N2O2 — CID 59885099

IUPAC(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
SMILESC=NC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H22N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-11,14H,2,5-7H2,1,3-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyCTXNAUCMKDMRKA-VKAADOFISA-N
MW214.31 g/mol
LogP0.40
Rot. Bonds5

About (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol (PubChem CID 59885099) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
PubChem CID59885099
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
SMILESC=NC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H22N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-11,14H,2,5-7H2,1,3-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyCTXNAUCMKDMRKA-VKAADOFISA-N
XLogP0.40
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
CID 59953228
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
CID 159274236
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 164903841
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
1-(3-methoxyazetidin-1-yl)propan-2-ol
CID 126973560
2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile
CID 54012474

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol?
The IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol (CID 59885099) is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol?
The canonical SMILES for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol is C=NC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C.
What is the InChIKey of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol?
The InChIKey is CTXNAUCMKDMRKA-VKAADOFISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-11,14H,2,5-7H2,1,3-4H3/t8-,9?,10+,11?/m1/s1.
What are the key properties of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol?
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol is sourced from PubChem (CID 59885099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).