3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol

C12H25NO2 — CID 103137590

IUPAC3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC1CCC(CN(CCCO)C(C)C)O1
InChIInChI=1S/C12H25NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNREDEOMVSPKLEO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds6

About 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol

3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 103137590) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID103137590
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC1CCC(CN(CCCO)C(C)C)O1
InChIInChI=1S/C12H25NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNREDEOMVSPKLEO-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol
CID 103137601
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
3-[[2-(methylamino)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 62614618
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
3-[[2-(ethylamino)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62610037
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol (CID 103137590) is 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol is CC1CCC(CN(CCCO)C(C)C)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is NREDEOMVSPKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103137590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).