2,3,4,5-tetrahydrooxepin-5-amine

C6H11NO — CID 69236690

IUPAC2,3,4,5-tetrahydrooxepin-5-amine
SMILESNC1C=COCCC1
InChIInChI=1S/C6H11NO/c7-6-2-1-4-8-5-3-6/h3,5-6H,1-2,4,7H2
InChIKeyUFEZPEAYWUAGTI-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.64
Rot. Bonds

About 2,3,4,5-tetrahydrooxepin-5-amine

2,3,4,5-tetrahydrooxepin-5-amine (PubChem CID 69236690) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrooxepin-5-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydrooxepin-5-amine
PubChem CID69236690
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,3,4,5-tetrahydrooxepin-5-amine
SMILESNC1C=COCCC1
InChIInChI=1S/C6H11NO/c7-6-2-1-4-8-5-3-6/h3,5-6H,1-2,4,7H2
InChIKeyUFEZPEAYWUAGTI-UHFFFAOYSA-N
XLogP0.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Molecular hydrogen;6-propoxyhex-1-en-3-amine
CID 144401696
4,5,6,7-Tetrahydrotrioxonin-7-amine
CID 175289649
6-Methoxyhex-1-en-3-amine
CID 65588358
6-Ethoxyhex-1-en-3-amine
CID 105161277
6-Propoxyhex-1-en-3-amine
CID 144401697

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrooxepin-5-amine?
The IUPAC name of 2,3,4,5-tetrahydrooxepin-5-amine (CID 69236690) is 2,3,4,5-tetrahydrooxepin-5-amine.
What is the SMILES notation for 2,3,4,5-tetrahydrooxepin-5-amine?
The canonical SMILES for 2,3,4,5-tetrahydrooxepin-5-amine is NC1C=COCCC1.
What is the InChIKey of 2,3,4,5-tetrahydrooxepin-5-amine?
The InChIKey is UFEZPEAYWUAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-6-2-1-4-8-5-3-6/h3,5-6H,1-2,4,7H2.
What are the key properties of 2,3,4,5-tetrahydrooxepin-5-amine?
2,3,4,5-tetrahydrooxepin-5-amine has a molecular weight of 113.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrooxepin-5-amine is sourced from PubChem (CID 69236690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).