1-ethylcyclohexa-3,5-diene-1,2-diamine

C8H14N2 — CID 67250873

IUPAC1-ethylcyclohexa-3,5-diene-1,2-diamine
SMILESCCC1(N)C=CC=CC1N
InChIInChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7(8)9/h3-7H,2,9-10H2,1H3
InChIKeyXKBQWBOFFVJBHI-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.55
Rot. Bonds1

About 1-ethylcyclohexa-3,5-diene-1,2-diamine

1-ethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 67250873) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-ethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID67250873
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-ethylcyclohexa-3,5-diene-1,2-diamine
SMILESCCC1(N)C=CC=CC1N
InChIInChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7(8)9/h3-7H,2,9-10H2,1H3
InChIKeyXKBQWBOFFVJBHI-UHFFFAOYSA-N
XLogP0.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-ethylcyclohexa-3,5-diene-1,2-diamine (CID 67250873) is 1-ethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-ethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-ethylcyclohexa-3,5-diene-1,2-diamine is CCC1(N)C=CC=CC1N.
What is the InChIKey of 1-ethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is XKBQWBOFFVJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7(8)9/h3-7H,2,9-10H2,1H3.
What are the key properties of 1-ethylcyclohexa-3,5-diene-1,2-diamine?
1-ethylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 67250873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).