3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine

C9H20N2O2 — CID 79686586

IUPAC3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1(OC)CN(CC(C)CN)C1
InChIInChI=1S/C9H20N2O2/c1-8(4-10)5-11-6-9(7-11,12-2)13-3/h8H,4-7,10H2,1-3H3
InChIKeyPHBPNAWPVBCUIE-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.11
Rot. Bonds5

About 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine

3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine (PubChem CID 79686586) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine
PubChem CID79686586
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1(OC)CN(CC(C)CN)C1
InChIInChI=1S/C9H20N2O2/c1-8(4-10)5-11-6-9(7-11,12-2)13-3/h8H,4-7,10H2,1-3H3
InChIKeyPHBPNAWPVBCUIE-UHFFFAOYSA-N
XLogP-0.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine (CID 79686586) is 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine is COC1(OC)CN(CC(C)CN)C1.
What is the InChIKey of 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is PHBPNAWPVBCUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(4-10)5-11-6-9(7-11,12-2)13-3/h8H,4-7,10H2,1-3H3.
What are the key properties of 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine?
3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 188.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 79686586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).