2-(oxolan-3-yl)ethanamine

C6H13NO — CID 22355254

IUPAC2-(oxolan-3-yl)ethanamine
SMILESNCCC1CCOC1
InChIInChI=1S/C6H13NO/c7-3-1-6-2-4-8-5-6/h6H,1-5,7H2
InChIKeyCNWVPUYTZPMEDA-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds2

About 2-(oxolan-3-yl)ethanamine

2-(oxolan-3-yl)ethanamine (PubChem CID 22355254) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)ethanamine
PubChem CID22355254
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(oxolan-3-yl)ethanamine
SMILESNCCC1CCOC1
InChIInChI=1S/C6H13NO/c7-3-1-6-2-4-8-5-6/h6H,1-5,7H2
InChIKeyCNWVPUYTZPMEDA-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-iodoethyl)oxolane
CID 97296763
CID 88999867
CID 88999867
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
3-(5-chloropentyl)oxolane
CID 165447140
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
butane;3-ethyloxolane
CID 143075797

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(oxolan-3-yl)ethanamine (CID 22355254) is 2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)ethanamine is NCCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)ethanamine?
The InChIKey is CNWVPUYTZPMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-3-1-6-2-4-8-5-6/h6H,1-5,7H2.
What are the key properties of 2-(oxolan-3-yl)ethanamine?
2-(oxolan-3-yl)ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 22355254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).