(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine

C7H15N3O — CID 76700632

IUPAC(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine
SMILESCON=C1CN(C)CC1CN
InChIInChI=1S/C7H15N3O/c1-10-4-6(3-8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3
InChIKeyZTYFHTDTKZDTLO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.49
Rot. Bonds2

About (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine

(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine (PubChem CID 76700632) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine
PubChem CID76700632
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine
SMILESCON=C1CN(C)CC1CN
InChIInChI=1S/C7H15N3O/c1-10-4-6(3-8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3
InChIKeyZTYFHTDTKZDTLO-UHFFFAOYSA-N
XLogP-0.49
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine (CID 76700632) is (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine is CON=C1CN(C)CC1CN.
What is the InChIKey of (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is ZTYFHTDTKZDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10-4-6(3-8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3.
What are the key properties of (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine?
(4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 157.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyimino-1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 76700632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).