1,2-bis(oxolan-3-yl)ethanamine

C10H19NO2 — CID 103986754

IUPAC1,2-bis(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1CCOC1
InChIInChI=1S/C10H19NO2/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h8-10H,1-7,11H2
InChIKeyKLPCEYWACFLNAB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds3

About 1,2-bis(oxolan-3-yl)ethanamine

1,2-bis(oxolan-3-yl)ethanamine (PubChem CID 103986754) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2-bis(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1,2-bis(oxolan-3-yl)ethanamine
PubChem CID103986754
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,2-bis(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1CCOC1
InChIInChI=1S/C10H19NO2/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h8-10H,1-7,11H2
InChIKeyKLPCEYWACFLNAB-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclopropyl-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265917
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
[1-cyclopropyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265931
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
1-(oxolan-3-yl)butan-1-amine
CID 63564938
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
CID 115415067
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
[1-cyclobutyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266198
[1-cyclopentyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265979

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(oxolan-3-yl)ethanamine?
The IUPAC name of 1,2-bis(oxolan-3-yl)ethanamine (CID 103986754) is 1,2-bis(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1,2-bis(oxolan-3-yl)ethanamine?
The canonical SMILES for 1,2-bis(oxolan-3-yl)ethanamine is NC(CC1CCOC1)C1CCOC1.
What is the InChIKey of 1,2-bis(oxolan-3-yl)ethanamine?
The InChIKey is KLPCEYWACFLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-10(9-2-4-13-7-9)5-8-1-3-12-6-8/h8-10H,1-7,11H2.
What are the key properties of 1,2-bis(oxolan-3-yl)ethanamine?
1,2-bis(oxolan-3-yl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103986754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).