2-[4-(aminomethyl)oxan-4-yl]propan-2-ol

C9H19NO2 — CID 79127291

IUPAC2-[4-(aminomethyl)oxan-4-yl]propan-2-ol
SMILESCC(C)(O)C1(CN)CCOCC1
InChIInChI=1S/C9H19NO2/c1-8(2,11)9(7-10)3-5-12-6-4-9/h11H,3-7,10H2,1-2H3
InChIKeyLEDSXPRTQQWZHI-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds2

About 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol

2-[4-(aminomethyl)oxan-4-yl]propan-2-ol (PubChem CID 79127291) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]propan-2-ol
PubChem CID79127291
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]propan-2-ol
SMILESCC(C)(O)C1(CN)CCOCC1
InChIInChI=1S/C9H19NO2/c1-8(2,11)9(7-10)3-5-12-6-4-9/h11H,3-7,10H2,1-2H3
InChIKeyLEDSXPRTQQWZHI-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol (CID 79127291) is 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol is CC(C)(O)C1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol?
The InChIKey is LEDSXPRTQQWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,11)9(7-10)3-5-12-6-4-9/h11H,3-7,10H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol?
2-[4-(aminomethyl)oxan-4-yl]propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]propan-2-ol is sourced from PubChem (CID 79127291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).