3-(3,3-dimethylmorpholin-4-yl)propan-1-amine

C9H20N2O — CID 54158765

IUPAC3-(3,3-dimethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)COCCN1CCCN
InChIInChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-8,10H2,1-2H3
InChIKeyOMYDYLSLLWLUCD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds3

About 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine

3-(3,3-dimethylmorpholin-4-yl)propan-1-amine (PubChem CID 54158765) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholin-4-yl)propan-1-amine
PubChem CID54158765
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(3,3-dimethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)COCCN1CCCN
InChIInChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-8,10H2,1-2H3
InChIKeyOMYDYLSLLWLUCD-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine (CID 54158765) is 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine is CC1(C)COCCN1CCCN.
What is the InChIKey of 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine?
The InChIKey is OMYDYLSLLWLUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-8,10H2,1-2H3.
What are the key properties of 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine?
3-(3,3-dimethylmorpholin-4-yl)propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 54158765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).