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

C9H16N2 — CID 77427568

IUPAC1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCNC1C=CC=CC1(C)NC
InChIInChI=1S/C9H16N2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8,10-11H,1-3H3
InChIKeyIIBPPOHSFBGXKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.68
Rot. Bonds2

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

1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 77427568) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID77427568
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCNC1C=CC=CC1(C)NC
InChIInChI=1S/C9H16N2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8,10-11H,1-3H3
InChIKeyIIBPPOHSFBGXKR-UHFFFAOYSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.68
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,1-trimethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine (CID 77427568) is 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine is CNC1C=CC=CC1(C)NC.
What is the InChIKey of 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is IIBPPOHSFBGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(11-3)7-5-4-6-8(9)10-2/h4-8,10-11H,1-3H3.
What are the key properties of 1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine?
1-N,2-N,1-trimethylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 152.24 g/mol, XLogP of 0.68, 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,1-trimethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 77427568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).