2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine

C12H24N2O — CID 116732450

IUPAC2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine
SMILES[H]/N=C(/C(OC)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10(15-4)11(13)14-8-6-5-7-9-14/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyKMYGLZYZWKZYNW-QBFSEMIESA-N
MW212.34 g/mol
LogP2.51
Rot. Bonds2

About 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine

2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine (PubChem CID 116732450) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine
PubChem CID116732450
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine
SMILES[H]/N=C(/C(OC)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10(15-4)11(13)14-8-6-5-7-9-14/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyKMYGLZYZWKZYNW-QBFSEMIESA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.51
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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Related Compounds

2-methoxy-3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 116732474
2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine
CID 116732462
2-methyl-1-pyrrolidin-1-ylbutan-1-imine;dihydrochloride
CID 68787392
1-(azepan-1-yl)-2-bromopropane-1,3-diimine
CID 90702658
ethane;1-piperidin-1-ylethanimine
CID 142132316
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289
1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
CID 116709506
1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine
CID 130590962
(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine
CID 116780159
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine
CID 116732437

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine (CID 116732450) is 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine is [H]/N=C(/C(OC)C(C)(C)C)N1CCCCC1.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine?
The InChIKey is KMYGLZYZWKZYNW-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)10(15-4)11(13)14-8-6-5-7-9-14/h10,13H,5-9H2,1-4H3/b13-11-.
What are the key properties of 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine?
2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine has a molecular weight of 212.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-piperidin-1-ylbutan-1-imine is sourced from PubChem (CID 116732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).