(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine

C12H19N — CID 134253847

IUPAC(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine
SMILESC=C1CCCN(C)/C1=C/C=C(C)C
InChIInChI=1S/C12H19N/c1-10(2)7-8-12-11(3)6-5-9-13(12)4/h7-8H,3,5-6,9H2,1-2,4H3/b12-8+
InChIKeyBMIAQLRBIOFIHD-XYOKQWHBSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds1

About (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine

(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine (PubChem CID 134253847) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine.

Molecular Properties

Compound Name(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine
PubChem CID134253847
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine
SMILESC=C1CCCN(C)/C1=C/C=C(C)C
InChIInChI=1S/C12H19N/c1-10(2)7-8-12-11(3)6-5-9-13(12)4/h7-8H,3,5-6,9H2,1-2,4H3/b12-8+
InChIKeyBMIAQLRBIOFIHD-XYOKQWHBSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
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1-(3,7-Dimethylocta-2,6-dien-1-yl)piperidine
CID 53765235
Tetrahydro 2h quinolizin
CID 67020367
N-(2,7-dimethyl-2,7-octadienyl)piperidine
CID 86023806
Tetrahydrobenzo[a]quinolizine
CID 129821630
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The IUPAC name of (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine (CID 134253847) is (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine.
What is the SMILES notation for (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The canonical SMILES for (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine is C=C1CCCN(C)/C1=C/C=C(C)C.
What is the InChIKey of (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The InChIKey is BMIAQLRBIOFIHD-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)7-8-12-11(3)6-5-9-13(12)4/h7-8H,3,5-6,9H2,1-2,4H3/b12-8+.
What are the key properties of (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
(2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-(3-methylbut-2-enylidene)-3-methylidenepiperidine is sourced from PubChem (CID 134253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).