1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine

C8H14N2 — CID 54451012

IUPAC1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CCCC=C1NC
InChIInChI=1S/C8H14N2/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyWUYYIPSUGWTIQG-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.99
Rot. Bonds2

About 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine

1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine (PubChem CID 54451012) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine
PubChem CID54451012
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CCCC=C1NC
InChIInChI=1S/C8H14N2/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyWUYYIPSUGWTIQG-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine (CID 54451012) is 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine is CNC1=CCCC=C1NC.
What is the InChIKey of 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine?
The InChIKey is WUYYIPSUGWTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine?
1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylcyclohexa-2,6-diene-1,2-diamine is sourced from PubChem (CID 54451012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).