[4-(3-aminopropyl)morpholin-3-yl]methanol

C8H18N2O2 — CID 83816539

IUPAC[4-(3-aminopropyl)morpholin-3-yl]methanol
SMILESNCCCN1CCOCC1CO
InChIInChI=1S/C8H18N2O2/c9-2-1-3-10-4-5-12-7-8(10)6-11/h8,11H,1-7,9H2
InChIKeyGZIKMLRUGTYQER-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.97
Rot. Bonds4

About [4-(3-aminopropyl)morpholin-3-yl]methanol

[4-(3-aminopropyl)morpholin-3-yl]methanol (PubChem CID 83816539) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [4-(3-aminopropyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3-aminopropyl)morpholin-3-yl]methanol
PubChem CID83816539
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[4-(3-aminopropyl)morpholin-3-yl]methanol
SMILESNCCCN1CCOCC1CO
InChIInChI=1S/C8H18N2O2/c9-2-1-3-10-4-5-12-7-8(10)6-11/h8,11H,1-7,9H2
InChIKeyGZIKMLRUGTYQER-UHFFFAOYSA-N
XLogP-0.97
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(3-aminopropyl)morpholin-3-yl]methanol (CID 83816539) is [4-(3-aminopropyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(3-aminopropyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(3-aminopropyl)morpholin-3-yl]methanol is NCCCN1CCOCC1CO.
What is the InChIKey of [4-(3-aminopropyl)morpholin-3-yl]methanol?
The InChIKey is GZIKMLRUGTYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-2-1-3-10-4-5-12-7-8(10)6-11/h8,11H,1-7,9H2.
What are the key properties of [4-(3-aminopropyl)morpholin-3-yl]methanol?
[4-(3-aminopropyl)morpholin-3-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)morpholin-3-yl]methanol is sourced from PubChem (CID 83816539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).