3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine

C11H20N2 — CID 67750395

IUPAC3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCC1=CC(N)=CC(N)(CC)C1C
InChIInChI=1S/C11H20N2/c1-4-9-6-10(12)7-11(13,5-2)8(9)3/h6-8H,4-5,12-13H2,1-3H3
InChIKeyYGMLYAIDMQEZCY-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.92
Rot. Bonds2

About 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine

3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 67750395) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
PubChem CID67750395
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCC1=CC(N)=CC(N)(CC)C1C
InChIInChI=1S/C11H20N2/c1-4-9-6-10(12)7-11(13,5-2)8(9)3/h6-8H,4-5,12-13H2,1-3H3
InChIKeyYGMLYAIDMQEZCY-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 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine (CID 67750395) is 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine is CCC1=CC(N)=CC(N)(CC)C1C.
What is the InChIKey of 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is YGMLYAIDMQEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9-6-10(12)7-11(13,5-2)8(9)3/h6-8H,4-5,12-13H2,1-3H3.
What are the key properties of 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-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 3,5-diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 67750395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).