4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine

C11H20N2 — CID 67945260

IUPAC4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCCC1=C(N)C=C(N)C(C)(CC)C1
InChIInChI=1S/C11H20N2/c1-4-8-7-11(3,5-2)10(13)6-9(8)12/h6H,4-5,7,12-13H2,1-3H3
InChIKeyJUSBOZHULOIJON-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.27
Rot. Bonds2

About 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine

4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 67945260) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine
PubChem CID67945260
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCCC1=C(N)C=C(N)C(C)(CC)C1
InChIInChI=1S/C11H20N2/c1-4-8-7-11(3,5-2)10(13)6-9(8)12/h6H,4-5,7,12-13H2,1-3H3
InChIKeyJUSBOZHULOIJON-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine (CID 67945260) is 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine is CCC1=C(N)C=C(N)C(C)(CC)C1.
What is the InChIKey of 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is JUSBOZHULOIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-8-7-11(3,5-2)10(13)6-9(8)12/h6H,4-5,7,12-13H2,1-3H3.
What are the key properties of 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine?
4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-6-methylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 67945260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).