(4-ethyloxolan-3-yl)methanamine

C7H15NO — CID 55285750

IUPAC(4-ethyloxolan-3-yl)methanamine
SMILESCCC1COCC1CN
InChIInChI=1S/C7H15NO/c1-2-6-4-9-5-7(6)3-8/h6-7H,2-5,8H2,1H3
InChIKeyJOBPCXNYIGIKKD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.62
Rot. Bonds2

About (4-ethyloxolan-3-yl)methanamine

(4-ethyloxolan-3-yl)methanamine (PubChem CID 55285750) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4-ethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethyloxolan-3-yl)methanamine
PubChem CID55285750
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4-ethyloxolan-3-yl)methanamine
SMILESCCC1COCC1CN
InChIInChI=1S/C7H15NO/c1-2-6-4-9-5-7(6)3-8/h6-7H,2-5,8H2,1H3
InChIKeyJOBPCXNYIGIKKD-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyloxolan-3-yl)methanamine?
The IUPAC name of (4-ethyloxolan-3-yl)methanamine (CID 55285750) is (4-ethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-ethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-ethyloxolan-3-yl)methanamine is CCC1COCC1CN.
What is the InChIKey of (4-ethyloxolan-3-yl)methanamine?
The InChIKey is JOBPCXNYIGIKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-6-4-9-5-7(6)3-8/h6-7H,2-5,8H2,1H3.
What are the key properties of (4-ethyloxolan-3-yl)methanamine?
(4-ethyloxolan-3-yl)methanamine has a molecular weight of 129.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyloxolan-3-yl)methanamine is sourced from PubChem (CID 55285750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).