N-ethyloxolan-3-amine

C6H13NO — CID 59535381

IUPACN-ethyloxolan-3-amine
SMILESCCNC1CCOC1
InChIInChI=1S/C6H13NO/c1-2-7-6-3-4-8-5-6/h6-7H,2-5H2,1H3
InChIKeyDWJJNIVNJZJFRB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

About N-ethyloxolan-3-amine

N-ethyloxolan-3-amine (PubChem CID 59535381) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-ethyloxolan-3-amine.

Molecular Properties

Compound NameN-ethyloxolan-3-amine
PubChem CID59535381
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-ethyloxolan-3-amine
SMILESCCNC1CCOC1
InChIInChI=1S/C6H13NO/c1-2-7-6-3-4-8-5-6/h6-7H,2-5H2,1H3
InChIKeyDWJJNIVNJZJFRB-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyloxolan-3-amine?
The IUPAC name of N-ethyloxolan-3-amine (CID 59535381) is N-ethyloxolan-3-amine.
What is the SMILES notation for N-ethyloxolan-3-amine?
The canonical SMILES for N-ethyloxolan-3-amine is CCNC1CCOC1.
What is the InChIKey of N-ethyloxolan-3-amine?
The InChIKey is DWJJNIVNJZJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-7-6-3-4-8-5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-ethyloxolan-3-amine?
N-ethyloxolan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloxolan-3-amine is sourced from PubChem (CID 59535381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).