2,2-dimethylpropyl N-methylpiperidine-1-carboximidate

C12H24N2O — CID 177284279

IUPAC2,2-dimethylpropyl N-methylpiperidine-1-carboximidate
SMILESC/N=C(\OCC(C)(C)C)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-15-11(13-4)14-8-6-5-7-9-14/h5-10H2,1-4H3/b13-11-
InChIKeyDXWDSCAAHFGOPX-QBFSEMIESA-N
MW212.34 g/mol
LogP2.52
Rot. Bonds1

About 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate

2,2-dimethylpropyl N-methylpiperidine-1-carboximidate (PubChem CID 177284279) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-methylpiperidine-1-carboximidate
PubChem CID177284279
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethylpropyl N-methylpiperidine-1-carboximidate
SMILESC/N=C(\OCC(C)(C)C)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-15-11(13-4)14-8-6-5-7-9-14/h5-10H2,1-4H3/b13-11-
InChIKeyDXWDSCAAHFGOPX-QBFSEMIESA-N
XLogP2.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
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

N'-methylazocane-1-carboximidamide
CID 62359325
N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
CID 58320086
2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
CID 159012212
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
[amino(piperidin-1-yl)methylidene]tungsten
CID 59710014
N'-tert-butylazocane-1-carboximidamide
CID 62361042
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
tert-butyl 2-(4-methylpiperazin-1-yl)acetate;bis(tert-butyl 2-piperidin-1-ylacetate);2,2-dimethylpropyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethylpropyl piperidine-1-carboxylate);methane
CID 159184307
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284
bis(2,2-dimethylpropoxy)methanimine
CID 20561614
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate?
The IUPAC name of 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate (CID 177284279) is 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate.
What is the SMILES notation for 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate?
The canonical SMILES for 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate is C/N=C(\OCC(C)(C)C)N1CCCCC1.
What is the InChIKey of 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate?
The InChIKey is DXWDSCAAHFGOPX-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)10-15-11(13-4)14-8-6-5-7-9-14/h5-10H2,1-4H3/b13-11-.
What are the key properties of 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate?
2,2-dimethylpropyl N-methylpiperidine-1-carboximidate has a molecular weight of 212.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-methylpiperidine-1-carboximidate is sourced from PubChem (CID 177284279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).