N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine

C8H18N2 — CID 170657574

IUPACN-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1CCN1C
InChIInChI=1S/C8H18N2/c1-7(2)9-6-8-4-5-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyMXFRFBPBTHGOKY-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds3

About N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine

N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine (PubChem CID 170657574) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine
PubChem CID170657574
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1CCN1C
InChIInChI=1S/C8H18N2/c1-7(2)9-6-8-4-5-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyMXFRFBPBTHGOKY-QMMMGPOBSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115676562
1-cyclobutyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 115712523
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
6-methyl-N-[(1-methylpiperidin-2-yl)methyl]heptan-2-amine
CID 62655246
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106020245
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
N-[(1-methylpiperidin-2-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106051009
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999106
methyl (2S)-3-methyl-2-[(1-methylpiperidin-2-yl)methylamino]butanoate
CID 55099753

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine (CID 170657574) is N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine is CC(C)NC[C@@H]1CCN1C.
What is the InChIKey of N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine?
The InChIKey is MXFRFBPBTHGOKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)9-6-8-4-5-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine?
N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 170657574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).