(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine

C11H20N2O — CID 80681502

IUPAC(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(C)CCCCO1
InChIInChI=1S/C11H20N2O/c1-11(6-2-5-9-14-11)10(12)13-7-3-4-8-13/h12H,2-9H2,1H3/b12-10-
InChIKeyRZBQEBROCJFZIK-BENRWUELSA-N
MW196.29 g/mol
LogP2.02
Rot. Bonds1

About (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine

(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 80681502) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine
PubChem CID80681502
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(C)CCCCO1
InChIInChI=1S/C11H20N2O/c1-11(6-2-5-9-14-11)10(12)13-7-3-4-8-13/h12H,2-9H2,1H3/b12-10-
InChIKeyRZBQEBROCJFZIK-BENRWUELSA-N
XLogP2.02
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine (CID 80681502) is (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(C)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is RZBQEBROCJFZIK-BENRWUELSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(6-2-5-9-14-11)10(12)13-7-3-4-8-13/h12H,2-9H2,1H3/b12-10-.
What are the key properties of (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine?
(2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 196.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 80681502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).