6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine

C9H16N2O — CID 68647512

IUPAC6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine
SMILESCCC1(OC)C=CC=C(N)C1N
InChIInChI=1S/C9H16N2O/c1-3-9(12-2)6-4-5-7(10)8(9)11/h4-6,8H,3,10-11H2,1-2H3
InChIKeyFIENUVRUHKABHM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.52
Rot. Bonds2

About 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine

6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine (PubChem CID 68647512) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine
PubChem CID68647512
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine
SMILESCCC1(OC)C=CC=C(N)C1N
InChIInChI=1S/C9H16N2O/c1-3-9(12-2)6-4-5-7(10)8(9)11/h4-6,8H,3,10-11H2,1-2H3
InChIKeyFIENUVRUHKABHM-UHFFFAOYSA-N
XLogP0.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine (CID 68647512) is 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine is CCC1(OC)C=CC=C(N)C1N.
What is the InChIKey of 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine?
The InChIKey is FIENUVRUHKABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(12-2)6-4-5-7(10)8(9)11/h4-6,8H,3,10-11H2,1-2H3.
What are the key properties of 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine?
6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methoxycyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 68647512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).