1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine

C11H20N2 — CID 66700376

IUPAC1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCC1=CC(N)(CC)C(N)C(C)=C1
InChIInChI=1S/C11H20N2/c1-4-9-6-8(3)10(12)11(13,5-2)7-9/h6-7,10H,4-5,12-13H2,1-3H3
InChIKeyUDCZISMPICASKH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.72
Rot. Bonds2

About 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine

1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 66700376) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine
PubChem CID66700376
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCC1=CC(N)(CC)C(N)C(C)=C1
InChIInChI=1S/C11H20N2/c1-4-9-6-8(3)10(12)11(13,5-2)7-9/h6-7,10H,4-5,12-13H2,1-3H3
InChIKeyUDCZISMPICASKH-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine (CID 66700376) is 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine is CCC1=CC(N)(CC)C(N)C(C)=C1.
What is the InChIKey of 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is UDCZISMPICASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9-6-8(3)10(12)11(13,5-2)7-9/h6-7,10H,4-5,12-13H2,1-3H3.
What are the key properties of 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine?
1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 66700376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).