[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol

C11H19N3O2 — CID 79125466

IUPAC[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N3O2/c1-14-8-13-6-9(14)10(15)11(7-12)2-4-16-5-3-11/h6,8,10,15H,2-5,7,12H2,1H3
InChIKeyUDPXSZXTGNLEOC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.21
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol

[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 79125466) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID79125466
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N3O2/c1-14-8-13-6-9(14)10(15)11(7-12)2-4-16-5-3-11/h6,8,10,15H,2-5,7,12H2,1H3
InChIKeyUDPXSZXTGNLEOC-UHFFFAOYSA-N
XLogP0.21
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol (CID 79125466) is [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)C1(CN)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is UDPXSZXTGNLEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-8-13-6-9(14)10(15)11(7-12)2-4-16-5-3-11/h6,8,10,15H,2-5,7,12H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol?
[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 225.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 79125466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).