2-methyl-N-piperidin-3-ylpentan-3-imine

C11H22N2 — CID 123827523

IUPAC2-methyl-N-piperidin-3-ylpentan-3-imine
SMILESCC/C(=N\C1CCCNC1)C(C)C
InChIInChI=1S/C11H22N2/c1-4-11(9(2)3)13-10-6-5-7-12-8-10/h9-10,12H,4-8H2,1-3H3/b13-11+
InChIKeyNEDAYYICOBQVJW-ACCUITESSA-N
MW182.31 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-N-piperidin-3-ylpentan-3-imine

2-methyl-N-piperidin-3-ylpentan-3-imine (PubChem CID 123827523) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-N-piperidin-3-ylpentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-piperidin-3-ylpentan-3-imine
PubChem CID123827523
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-N-piperidin-3-ylpentan-3-imine
SMILESCC/C(=N\C1CCCNC1)C(C)C
InChIInChI=1S/C11H22N2/c1-4-11(9(2)3)13-10-6-5-7-12-8-10/h9-10,12H,4-8H2,1-3H3/b13-11+
InChIKeyNEDAYYICOBQVJW-ACCUITESSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol
CID 91361193
N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide
CID 91561321
N-piperidin-3-ylmethanimine
CID 58804640
ethyl 1-[C-(hydroxymethyl)-N-piperidin-3-ylcarbonimidoyl]pyrrolidine-2-carboxylate
CID 91454243
2-ethyl-1-piperidin-3-ylbutan-1-one
CID 116548105
3-methyl-2-piperidin-3-ylhexan-2-ol
CID 107892565
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-3-ylpentan-3-imine?
The IUPAC name of 2-methyl-N-piperidin-3-ylpentan-3-imine (CID 123827523) is 2-methyl-N-piperidin-3-ylpentan-3-imine.
What is the SMILES notation for 2-methyl-N-piperidin-3-ylpentan-3-imine?
The canonical SMILES for 2-methyl-N-piperidin-3-ylpentan-3-imine is CC/C(=N\C1CCCNC1)C(C)C.
What is the InChIKey of 2-methyl-N-piperidin-3-ylpentan-3-imine?
The InChIKey is NEDAYYICOBQVJW-ACCUITESSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11(9(2)3)13-10-6-5-7-12-8-10/h9-10,12H,4-8H2,1-3H3/b13-11+.
What are the key properties of 2-methyl-N-piperidin-3-ylpentan-3-imine?
2-methyl-N-piperidin-3-ylpentan-3-imine has a molecular weight of 182.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-3-ylpentan-3-imine is sourced from PubChem (CID 123827523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).