3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol

C10H21NO3 — CID 103377516

IUPAC3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol
SMILESCC1CCC(C(CN)OCCCO)O1
InChIInChI=1S/C10H21NO3/c1-8-3-4-9(14-8)10(7-11)13-6-2-5-12/h8-10,12H,2-7,11H2,1H3
InChIKeySDKUQQBDXYWVNW-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.28
Rot. Bonds6

About 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol

3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol (PubChem CID 103377516) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol
PubChem CID103377516
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol
SMILESCC1CCC(C(CN)OCCCO)O1
InChIInChI=1S/C10H21NO3/c1-8-3-4-9(14-8)10(7-11)13-6-2-5-12/h8-10,12H,2-7,11H2,1H3
InChIKeySDKUQQBDXYWVNW-UHFFFAOYSA-N
XLogP0.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane
CID 70293691
2-(2-amino-1-cyclopropylethoxy)ethanol
CID 103376865
3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol
CID 83177520
3-(5-methyloxolan-2-yl)butan-1-ol
CID 130144173
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835200
(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol
CID 10103681
4-methoxy-1-(5-methyloxolan-2-yl)butan-1-amine
CID 105054843
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol
CID 82838794
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 82837635

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol (CID 103377516) is 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol is CC1CCC(C(CN)OCCCO)O1.
What is the InChIKey of 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol?
The InChIKey is SDKUQQBDXYWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8-3-4-9(14-8)10(7-11)13-6-2-5-12/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol?
3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol is sourced from PubChem (CID 103377516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).