4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine

C12H23N3 — CID 152769907

IUPAC4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCCN(CC)CCC1(N)C=CC(N)=CC1
InChIInChI=1S/C12H23N3/c1-3-15(4-2)10-9-12(14)7-5-11(13)6-8-12/h5-7H,3-4,8-10,13-14H2,1-2H3
InChIKeyNYODTOXORFYOPX-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.22
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine

4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 152769907) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID152769907
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCCN(CC)CCC1(N)C=CC(N)=CC1
InChIInChI=1S/C12H23N3/c1-3-15(4-2)10-9-12(14)7-5-11(13)6-8-12/h5-7H,3-4,8-10,13-14H2,1-2H3
InChIKeyNYODTOXORFYOPX-UHFFFAOYSA-N
XLogP1.22
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine (CID 152769907) is 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine is CCN(CC)CCC1(N)C=CC(N)=CC1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is NYODTOXORFYOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-15(4-2)10-9-12(14)7-5-11(13)6-8-12/h5-7H,3-4,8-10,13-14H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 152769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).