3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine

C16H29N — CID 175635917

IUPAC3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine
SMILESC=C1CCC(CC)(C(C)CCC(C)C)C(=C)N1
InChIInChI=1S/C16H29N/c1-7-16(13(4)9-8-12(2)3)11-10-14(5)17-15(16)6/h12-13,17H,5-11H2,1-4H3
InChIKeySXLRRWHDWOWLCX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.87
Rot. Bonds5

About 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine

3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine (PubChem CID 175635917) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine.

Molecular Properties

Compound Name3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine
PubChem CID175635917
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine
SMILESC=C1CCC(CC)(C(C)CCC(C)C)C(=C)N1
InChIInChI=1S/C16H29N/c1-7-16(13(4)9-8-12(2)3)11-10-14(5)17-15(16)6/h12-13,17H,5-11H2,1-4H3
InChIKeySXLRRWHDWOWLCX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine
CID 155274500
(1S,5S,6S)-1,5,7,7-tetramethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53765459
5-Tert-butyl-2-methylidenepiperidine
CID 59464696
2,2-Dimethyl-6-methylidene-4-propylpiperidine
CID 89015653
2,2-Dimethyl-6-methylidene-4-propan-2-ylpiperidine
CID 89116488
4-Cyclopropyl-2,2-dimethyl-6-methylidenepiperidine
CID 89357410
N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine
CID 126613968
N-(1-cyclohexylethenyl)-4,4-dimethylpent-1-en-2-amine
CID 126700057
N-[1-(4-tert-butylcyclohexyl)ethenyl]-2-methylpropan-2-amine
CID 132208062
3,4,6-Trimethyl-2-methylidene-3-(2,3,3-trimethylbutan-2-yl)piperidine
CID 134231968
2,2,6,6-Tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine
CID 139402318
N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine
CID 139439239

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine?
The IUPAC name of 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine (CID 175635917) is 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine.
What is the SMILES notation for 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine?
The canonical SMILES for 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine is C=C1CCC(CC)(C(C)CCC(C)C)C(=C)N1.
What is the InChIKey of 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine?
The InChIKey is SXLRRWHDWOWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-7-16(13(4)9-8-12(2)3)11-10-14(5)17-15(16)6/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine?
3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine has a molecular weight of 235.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(5-methylhexan-2-yl)-2,6-dimethylidenepiperidine is sourced from PubChem (CID 175635917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).