4-(1-aminopropan-2-yl)-2-methyloxan-4-ol

C9H19NO2 — CID 79126205

IUPAC4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
SMILESCC1CC(O)(C(C)CN)CCO1
InChIInChI=1S/C9H19NO2/c1-7(6-10)9(11)3-4-12-8(2)5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyUUEYLVKOLQYEQF-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol

4-(1-aminopropan-2-yl)-2-methyloxan-4-ol (PubChem CID 79126205) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
PubChem CID79126205
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
SMILESCC1CC(O)(C(C)CN)CCO1
InChIInChI=1S/C9H19NO2/c1-7(6-10)9(11)3-4-12-8(2)5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyUUEYLVKOLQYEQF-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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Related Compounds

2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
CID 126999258
1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
CID 79125773
4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol
CID 165446656
2-(4-hydroxy-2-methyloxan-4-yl)pentanenitrile
CID 79413009
1-(1-aminopropan-2-yl)cyclopentan-1-ol
CID 79127833
4-butan-2-yl-2-propan-2-yloxan-4-ol
CID 79445575
4-(1-amino-2-methylbutan-2-yl)-2-methyloxan-4-ol
CID 79123415
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
4-ethynyl-2-methyloxan-4-ol
CID 45079336
4-amino-2-methyloxane-4-carboxylic acid
CID 10855758
[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
CID 142391496
2-methyl-4-prop-1-ynyloxan-4-ol
CID 126977531

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol (CID 79126205) is 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol is CC1CC(O)(C(C)CN)CCO1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol?
The InChIKey is UUEYLVKOLQYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(6-10)9(11)3-4-12-8(2)5-9/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol?
4-(1-aminopropan-2-yl)-2-methyloxan-4-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 4-(1-aminopropan-2-yl)-2-methyloxan-4-ol is sourced from PubChem (CID 79126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).