2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine

C10H18N2O2 — CID 142994212

IUPAC2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine
SMILESNCCOC1=CCCC(OCCN)=C1
InChIInChI=1S/C10H18N2O2/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8H,1,3-7,11-12H2
InChIKeyUQKZVHKBCHIESZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.50
Rot. Bonds6

About 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine

2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine (PubChem CID 142994212) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine
PubChem CID142994212
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine
SMILESNCCOC1=CCCC(OCCN)=C1
InChIInChI=1S/C10H18N2O2/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8H,1,3-7,11-12H2
InChIKeyUQKZVHKBCHIESZ-UHFFFAOYSA-N
XLogP0.50
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine?
The IUPAC name of 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine (CID 142994212) is 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine.
What is the SMILES notation for 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine?
The canonical SMILES for 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine is NCCOC1=CCCC(OCCN)=C1.
What is the InChIKey of 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine?
The InChIKey is UQKZVHKBCHIESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8H,1,3-7,11-12H2.
What are the key properties of 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine?
2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)cyclohexa-1,3-dien-1-yl]oxyethanamine is sourced from PubChem (CID 142994212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).