2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine

C8H18N2O — CID 130548455

IUPAC2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
SMILESCNCC(C)N1CC(OC)C1
InChIInChI=1S/C8H18N2O/c1-7(4-9-2)10-5-8(6-10)11-3/h7-9H,4-6H2,1-3H3
InChIKeyORQBULNILXMASR-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.08
Rot. Bonds4

About 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine

2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine (PubChem CID 130548455) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
PubChem CID130548455
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
SMILESCNCC(C)N1CC(OC)C1
InChIInChI=1S/C8H18N2O/c1-7(4-9-2)10-5-8(6-10)11-3/h7-9H,4-6H2,1-3H3
InChIKeyORQBULNILXMASR-UHFFFAOYSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Azetidin-3-yloxy)ethyl]diethylamine
CID 63105151
N-Methyl-N-(oxetan-3-yl)azetidin-3-amine
CID 72207758
N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 176601527
1-(Azetidin-3-yl)-4-(2-methoxyethyl)piperazine
CID 66204108
N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine
CID 66214908
N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
CID 66215100
N-(3-methoxybutan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718791
4-(Azetidin-3-yl)-3,5-dimethylmorpholine
CID 18002289
N'-(2-ethoxyethyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 18965063
4-(1-Methanidylazetidin-1-ium-3-yl)morpholine
CID 21029981
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propan-2-amine
CID 23518729
2-(2,5-dimethylmorpholin-4-yl)-N-methylethanamine
CID 43544738

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine (CID 130548455) is 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine is CNCC(C)N1CC(OC)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is ORQBULNILXMASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(4-9-2)10-5-8(6-10)11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine?
2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 158.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 130548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).