3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine

C16H31N — CID 134231968

IUPAC3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESC=C1NC(C)CC(C)C1(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H31N/c1-11-10-12(2)17-13(3)16(11,9)15(7,8)14(4,5)6/h11-12,17H,3,10H2,1-2,4-9H3
InChIKeyIKXFNYJEKLQGRO-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.60
Rot. Bonds1

About 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine

3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine (PubChem CID 134231968) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine
PubChem CID134231968
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESC=C1NC(C)CC(C)C1(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H31N/c1-11-10-12(2)17-13(3)16(11,9)15(7,8)14(4,5)6/h11-12,17H,3,10H2,1-2,4-9H3
InChIKeyIKXFNYJEKLQGRO-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
(1R,5S,6S,7S)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844444
(1R,5S,6S,7R)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844445
(1R,5S,6S,7S)-7-butyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53930939
(1R,5S,6S,7R)-7-butyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53930940
(1S,5S,6S)-5,7,7-trimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53955141
(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane
CID 54020223
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 58476300
2-Methylidene-6-propan-2-ylpiperidine
CID 59046113
2-Tert-butyl-6-methylidenepiperidine
CID 59464695
5-Tert-butyl-2-methylidenepiperidine
CID 59464696
4-Tert-butyl-2-methylidenepiperidine
CID 60053301

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine?
The IUPAC name of 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine (CID 134231968) is 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine.
What is the SMILES notation for 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine?
The canonical SMILES for 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine is C=C1NC(C)CC(C)C1(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine?
The InChIKey is IKXFNYJEKLQGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-11-10-12(2)17-13(3)16(11,9)15(7,8)14(4,5)6/h11-12,17H,3,10H2,1-2,4-9H3.
What are the key properties of 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine?
3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine has a molecular weight of 237.43 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine is sourced from PubChem (CID 134231968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).