N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine

C7H14N2 — CID 145283080

IUPACN-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine
SMILESC=C1CN(C)[C@@H]1CNC
InChIInChI=1S/C7H14N2/c1-6-5-9(3)7(6)4-8-2/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeySBGTWHAZCKUEKA-SSDOTTSWSA-N
MW126.20 g/mol
LogP0.08
Rot. Bonds2

About N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine

N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine (PubChem CID 145283080) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine
PubChem CID145283080
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine
SMILESC=C1CN(C)[C@@H]1CNC
InChIInChI=1S/C7H14N2/c1-6-5-9(3)7(6)4-8-2/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeySBGTWHAZCKUEKA-SSDOTTSWSA-N
XLogP0.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine (CID 145283080) is N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine is C=C1CN(C)[C@@H]1CNC.
What is the InChIKey of N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine?
The InChIKey is SBGTWHAZCKUEKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-5-9(3)7(6)4-8-2/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1.
What are the key properties of N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine?
N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-1-methyl-3-methylideneazetidin-2-yl]methanamine is sourced from PubChem (CID 145283080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).