1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine

C11H20N2 — CID 66957897

IUPAC1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine
SMILESCCC1=C(N)C(N)(CC)C(C)C=C1
InChIInChI=1S/C11H20N2/c1-4-9-7-6-8(3)11(13,5-2)10(9)12/h6-8H,4-5,12-13H2,1-3H3
InChIKeyBYJMUJBQHTZKBS-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.92
Rot. Bonds2

About 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine

1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine (PubChem CID 66957897) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine
PubChem CID66957897
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine
SMILESCCC1=C(N)C(N)(CC)C(C)C=C1
InChIInChI=1S/C11H20N2/c1-4-9-7-6-8(3)11(13,5-2)10(9)12/h6-8H,4-5,12-13H2,1-3H3
InChIKeyBYJMUJBQHTZKBS-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine (CID 66957897) is 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine is CCC1=C(N)C(N)(CC)C(C)C=C1.
What is the InChIKey of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine?
The InChIKey is BYJMUJBQHTZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9-7-6-8(3)11(13,5-2)10(9)12/h6-8H,4-5,12-13H2,1-3H3.
What are the key properties of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine?
1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 66957897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).