3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol

C12H28N2O3 — CID 70114973

IUPAC3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol
SMILESCCC(O)(CC)CN.OCCC1CNCCO1
InChIInChI=1S/C6H13NO2.C6H15NO/c8-3-1-6-5-7-2-4-9-6;1-3-6(8,4-2)5-7/h6-8H,1-5H2;8H,3-5,7H2,1-2H3
InChIKeyRDODHEVPZKVUKY-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.15
Rot. Bonds5

About 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol

3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol (PubChem CID 70114973) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol.

Molecular Properties

Compound Name3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol
PubChem CID70114973
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol
SMILESCCC(O)(CC)CN.OCCC1CNCCO1
InChIInChI=1S/C6H13NO2.C6H15NO/c8-3-1-6-5-7-2-4-9-6;1-3-6(8,4-2)5-7/h6-8H,1-5H2;8H,3-5,7H2,1-2H3
InChIKeyRDODHEVPZKVUKY-UHFFFAOYSA-N
XLogP-0.15
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol?
The IUPAC name of 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol (CID 70114973) is 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol.
What is the SMILES notation for 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol?
The canonical SMILES for 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol is CCC(O)(CC)CN.OCCC1CNCCO1.
What is the InChIKey of 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol?
The InChIKey is RDODHEVPZKVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C6H15NO/c8-3-1-6-5-7-2-4-9-6;1-3-6(8,4-2)5-7/h6-8H,1-5H2;8H,3-5,7H2,1-2H3.
What are the key properties of 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol?
3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol has a molecular weight of 248.37 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pentan-3-ol;2-morpholin-2-ylethanol is sourced from PubChem (CID 70114973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).