1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine

C11H22N2O — CID 83099903

IUPAC1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1CCC1CC1
InChIInChI=1S/C11H22N2O/c1-12-8-11-9-14-7-6-13(11)5-4-10-2-3-10/h10-12H,2-9H2,1H3
InChIKeyGPSAYVSTFVLMCJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds5

About 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine

1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine (PubChem CID 83099903) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine
PubChem CID83099903
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1CCC1CC1
InChIInChI=1S/C11H22N2O/c1-12-8-11-9-14-7-6-13(11)5-4-10-2-3-10/h10-12H,2-9H2,1H3
InChIKeyGPSAYVSTFVLMCJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine (CID 83099903) is 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1CCC1CC1.
What is the InChIKey of 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine?
The InChIKey is GPSAYVSTFVLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-8-11-9-14-7-6-13(11)5-4-10-2-3-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine?
1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83099903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).