2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine

C9H15N3 — CID 140979928

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
SMILESCC1C=CC=CC1(C)N=C(N)N
InChIInChI=1S/C9H15N3/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H4,10,11,12)
InChIKeyFAFYYIDXURLOCD-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.78
Rot. Bonds1

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine (PubChem CID 140979928) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
PubChem CID140979928
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
SMILESCC1C=CC=CC1(C)N=C(N)N
InChIInChI=1S/C9H15N3/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H4,10,11,12)
InChIKeyFAFYYIDXURLOCD-UHFFFAOYSA-N
XLogP0.78
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
bromo 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 174689520
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
CID 141314967
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
CID 141143563
chloro-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanamine
CID 67656494
2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 97049712
1-(hydroxymethyl)-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 123247195
calcium;bis(1,6-dimethylcyclohexa-2,4-diene-1-sulfonate);hydrate
CID 140991949

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine (CID 140979928) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine is CC1C=CC=CC1(C)N=C(N)N.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine?
The InChIKey is FAFYYIDXURLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H4,10,11,12).
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine has a molecular weight of 165.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine is sourced from PubChem (CID 140979928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).