2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde

C10H20N2O — CID 166168002

IUPAC2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde
SMILESCNCC1(CC=O)CN(C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-9(2)12-7-10(8-12,4-5-13)6-11-3/h5,9,11H,4,6-8H2,1-3H3
InChIKeyNGSJNSYKMZBVJO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds5

About 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde

2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde (PubChem CID 166168002) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde
PubChem CID166168002
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde
SMILESCNCC1(CC=O)CN(C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-9(2)12-7-10(8-12,4-5-13)6-11-3/h5,9,11H,4,6-8H2,1-3H3
InChIKeyNGSJNSYKMZBVJO-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde?
The IUPAC name of 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde (CID 166168002) is 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde is CNCC1(CC=O)CN(C(C)C)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde?
The InChIKey is NGSJNSYKMZBVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)12-7-10(8-12,4-5-13)6-11-3/h5,9,11H,4,6-8H2,1-3H3.
What are the key properties of 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde?
2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde is sourced from PubChem (CID 166168002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).