4-(butylaminomethyl)oxan-4-ol

C10H21NO2 — CID 81130334

IUPAC4-(butylaminomethyl)oxan-4-ol
SMILESCCCCNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h11-12H,2-9H2,1H3
InChIKeyIZGDBFJXSCKAHE-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds5

About 4-(butylaminomethyl)oxan-4-ol

4-(butylaminomethyl)oxan-4-ol (PubChem CID 81130334) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(butylaminomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(butylaminomethyl)oxan-4-ol
PubChem CID81130334
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(butylaminomethyl)oxan-4-ol
SMILESCCCCNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h11-12H,2-9H2,1H3
InChIKeyIZGDBFJXSCKAHE-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(butylaminomethyl)oxan-4-ol?
The IUPAC name of 4-(butylaminomethyl)oxan-4-ol (CID 81130334) is 4-(butylaminomethyl)oxan-4-ol.
What is the SMILES notation for 4-(butylaminomethyl)oxan-4-ol?
The canonical SMILES for 4-(butylaminomethyl)oxan-4-ol is CCCCNCC1(O)CCOCC1.
What is the InChIKey of 4-(butylaminomethyl)oxan-4-ol?
The InChIKey is IZGDBFJXSCKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h11-12H,2-9H2,1H3.
What are the key properties of 4-(butylaminomethyl)oxan-4-ol?
4-(butylaminomethyl)oxan-4-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylaminomethyl)oxan-4-ol is sourced from PubChem (CID 81130334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).