1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine

C9H18N2O — CID 90981030

IUPAC1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine
SMILESCC(C)ON=C[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyWXNQQIBQWFDHNB-VIFPVBQESA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds3

About 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine

1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine (PubChem CID 90981030) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine
PubChem CID90981030
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine
SMILESCC(C)ON=C[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyWXNQQIBQWFDHNB-VIFPVBQESA-N
XLogP1.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(1-methylpyrrolidin-2-yl)methylidene]hydroxylamine
CID 91392408
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 155396519
(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
CID 126669652
(E)-4-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]hex-1-en-3-one
CID 137471242
4-methyl-3-[(1-methylpyrrolidin-2-yl)methylideneamino]pent-2-en-2-olate
CID 58783205
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
CID 170967279
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117265759
2-[(E)-3,3-dimethylhex-1-enyl]-1-methylpyrrolidine
CID 146324329
(E)-2-[(2R)-1-methylpiperidin-2-yl]ethenol
CID 163529259
1-cyclobutyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 115712523
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine?
The IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine (CID 90981030) is 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine.
What is the SMILES notation for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine?
The canonical SMILES for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine is CC(C)ON=C[C@@H]1CCCN1C.
What is the InChIKey of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine?
The InChIKey is WXNQQIBQWFDHNB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine?
1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpyrrolidin-2-yl]-N-propan-2-yloxymethanimine is sourced from PubChem (CID 90981030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).