[4-(butan-2-ylamino)oxan-4-yl]methanol

C10H21NO2 — CID 61048213

IUPAC[4-(butan-2-ylamino)oxan-4-yl]methanol
SMILESCCC(C)NC1(CO)CCOCC1
InChIInChI=1S/C10H21NO2/c1-3-9(2)11-10(8-12)4-6-13-7-5-10/h9,11-12H,3-8H2,1-2H3
InChIKeyDHJXASXHUBGXTM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds4

About [4-(butan-2-ylamino)oxan-4-yl]methanol

[4-(butan-2-ylamino)oxan-4-yl]methanol (PubChem CID 61048213) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [4-(butan-2-ylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(butan-2-ylamino)oxan-4-yl]methanol
PubChem CID61048213
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[4-(butan-2-ylamino)oxan-4-yl]methanol
SMILESCCC(C)NC1(CO)CCOCC1
InChIInChI=1S/C10H21NO2/c1-3-9(2)11-10(8-12)4-6-13-7-5-10/h9,11-12H,3-8H2,1-2H3
InChIKeyDHJXASXHUBGXTM-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of [4-(butan-2-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(butan-2-ylamino)oxan-4-yl]methanol (CID 61048213) is [4-(butan-2-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(butan-2-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(butan-2-ylamino)oxan-4-yl]methanol is CCC(C)NC1(CO)CCOCC1.
What is the InChIKey of [4-(butan-2-ylamino)oxan-4-yl]methanol?
The InChIKey is DHJXASXHUBGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-9(2)11-10(8-12)4-6-13-7-5-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of [4-(butan-2-ylamino)oxan-4-yl]methanol?
[4-(butan-2-ylamino)oxan-4-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butan-2-ylamino)oxan-4-yl]methanol is sourced from PubChem (CID 61048213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).