2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine

C12H26N2 — CID 163266511

IUPAC2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine
SMILESCC=C(C)C.CNCCC1(C)CNC1
InChIInChI=1S/C7H16N2.C5H10/c1-7(3-4-8-2)5-9-6-7;1-4-5(2)3/h8-9H,3-6H2,1-2H3;4H,1-3H3
InChIKeyAEIXLIWDFOHOKQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.18
Rot. Bonds3

About 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine

2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine (PubChem CID 163266511) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine
PubChem CID163266511
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine
SMILESCC=C(C)C.CNCCC1(C)CNC1
InChIInChI=1S/C7H16N2.C5H10/c1-7(3-4-8-2)5-9-6-7;1-4-5(2)3/h8-9H,3-6H2,1-2H3;4H,1-3H3
InChIKeyAEIXLIWDFOHOKQ-UHFFFAOYSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-[2-(methylamino)ethyl]cyclobutan-1-ol
CID 145221775
N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
CID 166533180
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
3-butyl-3-methylazetidine;ethane
CID 145389820
ethane;2-(4-ethylimidazolidin-4-yl)-N-methylethanamine
CID 143190982
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117
3-(4,4-dimethylpentyl)-3-methylazetidine
CID 176961474
2-(1,3-dimethylpyrrolidin-3-yl)-N-methylethanamine
CID 144987620
ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine
CID 177011684
ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
CID 143462559
1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
CID 144732872
4-[3-(methylamino)propyl]piperidin-4-ol
CID 145279418

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine?
The IUPAC name of 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine (CID 163266511) is 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine?
The canonical SMILES for 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine is CC=C(C)C.CNCCC1(C)CNC1.
What is the InChIKey of 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine?
The InChIKey is AEIXLIWDFOHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C5H10/c1-7(3-4-8-2)5-9-6-7;1-4-5(2)3/h8-9H,3-6H2,1-2H3;4H,1-3H3.
What are the key properties of 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine?
2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine is sourced from PubChem (CID 163266511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).