1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine

C8H14N2 — CID 152759950

IUPAC1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCNC1(C)C=CC=CC1N
InChIInChI=1S/C8H14N2/c1-8(10-2)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3
InChIKeyCVQJLLJOVCEWIH-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.42
Rot. Bonds1

About 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine

1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152759950) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152759950
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCNC1(C)C=CC=CC1N
InChIInChI=1S/C8H14N2/c1-8(10-2)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3
InChIKeyCVQJLLJOVCEWIH-UHFFFAOYSA-N
XLogP0.42
TPSA38.05 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine (CID 152759950) is 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine is CNC1(C)C=CC=CC1N.
What is the InChIKey of 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is CVQJLLJOVCEWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(10-2)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3.
What are the key properties of 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine?
1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152759950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).