6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine

C9H17N3O — CID 70586252

IUPAC6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine
SMILESCOC1C=CC(N)=CC1(N)N(C)C
InChIInChI=1S/C9H17N3O/c1-12(2)9(11)6-7(10)4-5-8(9)13-3/h4-6,8H,10-11H2,1-3H3
InChIKeyYFPRDLPNILVBJD-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.37
Rot. Bonds2

About 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine

6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine (PubChem CID 70586252) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine.

Molecular Properties

Compound Name6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine
PubChem CID70586252
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine
SMILESCOC1C=CC(N)=CC1(N)N(C)C
InChIInChI=1S/C9H17N3O/c1-12(2)9(11)6-7(10)4-5-8(9)13-3/h4-6,8H,10-11H2,1-3H3
InChIKeyYFPRDLPNILVBJD-UHFFFAOYSA-N
XLogP-0.37
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine?
The IUPAC name of 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine (CID 70586252) is 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine.
What is the SMILES notation for 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine?
The canonical SMILES for 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine is COC1C=CC(N)=CC1(N)N(C)C.
What is the InChIKey of 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine?
The InChIKey is YFPRDLPNILVBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12(2)9(11)6-7(10)4-5-8(9)13-3/h4-6,8H,10-11H2,1-3H3.
What are the key properties of 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine?
6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine has a molecular weight of 183.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-N',1-N'-dimethylcyclohexa-2,4-diene-1,1,3-triamine is sourced from PubChem (CID 70586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).