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

C9H16N2 — CID 67944092

IUPAC3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCC1(N)C=C(N)C=CC1C
InChIInChI=1S/C9H16N2/c1-3-9(11)6-8(10)5-4-7(9)2/h4-7H,3,10-11H2,1-2H3
InChIKeyLJSVKJHPHRZEPZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.14
Rot. Bonds1

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

3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 67944092) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
PubChem CID67944092
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCC1(N)C=C(N)C=CC1C
InChIInChI=1S/C9H16N2/c1-3-9(11)6-8(10)5-4-7(9)2/h4-7H,3,10-11H2,1-2H3
InChIKeyLJSVKJHPHRZEPZ-UHFFFAOYSA-N
XLogP1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine (CID 67944092) is 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine is CCC1(N)C=C(N)C=CC1C.
What is the InChIKey of 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is LJSVKJHPHRZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9(11)6-8(10)5-4-7(9)2/h4-7H,3,10-11H2,1-2H3.
What are the key properties of 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine?
3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 67944092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).