N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide

C11H20N2O — CID 164644287

IUPACN-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESCN(C(=O)C1=CCNCC1)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-11(2,3)13(4)10(14)9-5-7-12-8-6-9/h5,12H,6-8H2,1-4H3
InChIKeyBODPABUBPDZVMQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds1

About N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide

N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 164644287) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID164644287
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESCN(C(=O)C1=CCNCC1)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-11(2,3)13(4)10(14)9-5-7-12-8-6-9/h5,12H,6-8H2,1-4H3
InChIKeyBODPABUBPDZVMQ-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrobromide
CID 12549674
ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 142140047
2-acetyloxyethyl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 70609905
1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 22482741
(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide
CID 177353615
(4-methylphenyl) 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125986
azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
CID 117125964
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
CID 166075886
CID 166075886
tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275068
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275063

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 164644287) is N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide is CN(C(=O)C1=CCNCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is BODPABUBPDZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)13(4)10(14)9-5-7-12-8-6-9/h5,12H,6-8H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 164644287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).