3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol

C11H19NO3 — CID 111467126

IUPAC3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NCc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-8(6-13)9(2)12-5-10-3-4-11(7-14)15-10/h3-4,8-9,12-14H,5-7H2,1-2H3
InChIKeyMIOOFBCKSYXCGO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.88
Rot. Bonds6

About 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol (PubChem CID 111467126) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
PubChem CID111467126
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NCc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-8(6-13)9(2)12-5-10-3-4-11(7-14)15-10/h3-4,8-9,12-14H,5-7H2,1-2H3
InChIKeyMIOOFBCKSYXCGO-UHFFFAOYSA-N
XLogP0.88
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol (CID 111467126) is 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol is CC(CO)C(C)NCc1ccc(CO)o1.
What is the InChIKey of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol?
The InChIKey is MIOOFBCKSYXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(6-13)9(2)12-5-10-3-4-11(7-14)15-10/h3-4,8-9,12-14H,5-7H2,1-2H3.
What are the key properties of 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol?
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 111467126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).