4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine

C12H24N2 — CID 165399617

IUPAC4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine
SMILESC=C(N)C(CCC1CN(C)C1)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)12(10(3)13)6-5-11-7-14(4)8-11/h9,11-12H,3,5-8,13H2,1-2,4H3
InChIKeyTZYNXBAWUVGXIV-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.07
Rot. Bonds5

About 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine

4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine (PubChem CID 165399617) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine
PubChem CID165399617
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine
SMILESC=C(N)C(CCC1CN(C)C1)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)12(10(3)13)6-5-11-7-14(4)8-11/h9,11-12H,3,5-8,13H2,1-2,4H3
InChIKeyTZYNXBAWUVGXIV-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250
2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide
CID 130820205
5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
CID 177155893
1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83988971
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
3-(2,2-difluoroethyl)-1-methylazetidine
CID 170595317
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
CID 131043190
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114
(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
CID 59060113

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine?
The IUPAC name of 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine (CID 165399617) is 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine.
What is the SMILES notation for 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine?
The canonical SMILES for 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine is C=C(N)C(CCC1CN(C)C1)C(C)C.
What is the InChIKey of 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine?
The InChIKey is TZYNXBAWUVGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)12(10(3)13)6-5-11-7-14(4)8-11/h9,11-12H,3,5-8,13H2,1-2,4H3.
What are the key properties of 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine?
4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine is sourced from PubChem (CID 165399617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).