(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine

C10H18N2O — CID 116732437

IUPAC(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OC)CCC1
InChIInChI=1S/C10H18N2O/c1-13-10(5-4-6-10)9(11)12-7-2-3-8-12/h11H,2-8H2,1H3/b11-9-
InChIKeyHMVCMWGVLHXEHO-LUAWRHEFSA-N
MW182.27 g/mol
LogP1.63
Rot. Bonds2

About (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine

(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine (PubChem CID 116732437) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine
PubChem CID116732437
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OC)CCC1
InChIInChI=1S/C10H18N2O/c1-13-10(5-4-6-10)9(11)12-7-2-3-8-12/h11H,2-8H2,1H3/b11-9-
InChIKeyHMVCMWGVLHXEHO-LUAWRHEFSA-N
XLogP1.63
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.63
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 (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine (CID 116732437) is (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(OC)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is HMVCMWGVLHXEHO-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-10(5-4-6-10)9(11)12-7-2-3-8-12/h11H,2-8H2,1H3/b11-9-.
What are the key properties of (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine?
(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 182.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 116732437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).