N-ethyloxan-3-amine

C7H15NO — CID 63360368

IUPACN-ethyloxan-3-amine
SMILESCCNC1CCCOC1
InChIInChI=1S/C7H15NO/c1-2-8-7-4-3-5-9-6-7/h7-8H,2-6H2,1H3
InChIKeyWONUPOBVPBXZPK-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds2

About N-ethyloxan-3-amine

N-ethyloxan-3-amine (PubChem CID 63360368) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyloxan-3-amine.

Molecular Properties

Compound NameN-ethyloxan-3-amine
PubChem CID63360368
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyloxan-3-amine
SMILESCCNC1CCCOC1
InChIInChI=1S/C7H15NO/c1-2-8-7-4-3-5-9-6-7/h7-8H,2-6H2,1H3
InChIKeyWONUPOBVPBXZPK-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyloxan-3-amine?
The IUPAC name of N-ethyloxan-3-amine (CID 63360368) is N-ethyloxan-3-amine.
What is the SMILES notation for N-ethyloxan-3-amine?
The canonical SMILES for N-ethyloxan-3-amine is CCNC1CCCOC1.
What is the InChIKey of N-ethyloxan-3-amine?
The InChIKey is WONUPOBVPBXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-8-7-4-3-5-9-6-7/h7-8H,2-6H2,1H3.
What are the key properties of N-ethyloxan-3-amine?
N-ethyloxan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloxan-3-amine is sourced from PubChem (CID 63360368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).