1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol

C13H26N2O2 — CID 64819562

IUPAC1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol
SMILESCCC1COC(C)CN1CC(O)(CN)C1CC1
InChIInChI=1S/C13H26N2O2/c1-3-12-7-17-10(2)6-15(12)9-13(16,8-14)11-4-5-11/h10-12,16H,3-9,14H2,1-2H3
InChIKeyKEFRYOPYWYXMGN-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.59
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol

1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol (PubChem CID 64819562) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol
PubChem CID64819562
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol
SMILESCCC1COC(C)CN1CC(O)(CN)C1CC1
InChIInChI=1S/C13H26N2O2/c1-3-12-7-17-10(2)6-15(12)9-13(16,8-14)11-4-5-11/h10-12,16H,3-9,14H2,1-2H3
InChIKeyKEFRYOPYWYXMGN-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.59
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-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol (CID 64819562) is 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol is CCC1COC(C)CN1CC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is KEFRYOPYWYXMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12-7-17-10(2)6-15(12)9-13(16,8-14)11-4-5-11/h10-12,16H,3-9,14H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol?
1-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.59, 5 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-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 64819562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).