1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol

C12H24N2O2 — CID 64818653

IUPAC1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)(CN)C2CC2)C(C)CO1
InChIInChI=1S/C12H24N2O2/c1-9-6-16-10(2)5-14(9)8-12(15,7-13)11-3-4-11/h9-11,15H,3-8,13H2,1-2H3
InChIKeyBXZJVFMSKURWPH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol

1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 64818653) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID64818653
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)(CN)C2CC2)C(C)CO1
InChIInChI=1S/C12H24N2O2/c1-9-6-16-10(2)5-14(9)8-12(15,7-13)11-3-4-11/h9-11,15H,3-8,13H2,1-2H3
InChIKeyBXZJVFMSKURWPH-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol (CID 64818653) is 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)(CN)C2CC2)C(C)CO1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is BXZJVFMSKURWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-16-10(2)5-14(9)8-12(15,7-13)11-3-4-11/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol?
1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 64818653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).