N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine

C11H22N2 — CID 100938866

IUPACN-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
SMILESC[C@@H]1CCCN(/C=N/C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-12-11(2,3)4/h9-10H,5-8H2,1-4H3/b12-9+/t10-/m1/s1
InChIKeyCOJIJESHEGXECY-QSARLWQPSA-N
MW182.31 g/mol
LogP2.55
Rot. Bonds1

About N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine

N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine (PubChem CID 100938866) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
PubChem CID100938866
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
SMILESC[C@@H]1CCCN(/C=N/C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-12-11(2,3)4/h9-10H,5-8H2,1-4H3/b12-9+/t10-/m1/s1
InChIKeyCOJIJESHEGXECY-QSARLWQPSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 143964193
CID 143964193
N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine
CID 10634734
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
3-methyl-1-nitrosopiperidine
CID 26131
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
3-methylpiperidine-1-carboxylic acid
CID 22047728
N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
CID 108911412
2-amino-2-methyl-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64798655

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine (CID 100938866) is N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine is C[C@@H]1CCCN(/C=N/C(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine?
The InChIKey is COJIJESHEGXECY-QSARLWQPSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-12-11(2,3)4/h9-10H,5-8H2,1-4H3/b12-9+/t10-/m1/s1.
What are the key properties of N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine?
N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine has a molecular weight of 182.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine is sourced from PubChem (CID 100938866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).