2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide

C20H30N6 — CID 67130283

IUPAC2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/C1=CCCC=C1)/C(N)=N/C1=CCCC=C1
InChIInChI=1S/C20H30N6/c1-19(2,17(21)23-15-11-7-5-8-12-15)25-26-20(3,4)18(22)24-16-13-9-6-10-14-16/h7,9,11-14H,5-6,8,10H2,1-4H3,(H2,21,23)(H2,22,24)/b26-25+
InChIKeyGYSPTSGCTAGJQA-OCEACIFDSA-N
MW354.50 g/mol
LogP4.18
Rot. Bonds6

About 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide

2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide (PubChem CID 67130283) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide
PubChem CID67130283
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/C1=CCCC=C1)/C(N)=N/C1=CCCC=C1
InChIInChI=1S/C20H30N6/c1-19(2,17(21)23-15-11-7-5-8-12-15)25-26-20(3,4)18(22)24-16-13-9-6-10-14-16/h7,9,11-14H,5-6,8,10H2,1-4H3,(H2,21,23)(H2,22,24)/b26-25+
InChIKeyGYSPTSGCTAGJQA-OCEACIFDSA-N
XLogP4.18
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide;dihydrochloride
CID 67130282
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
7,8-Dihydrobenzo[g]quinoxaline-2,3-diamine;ethane
CID 142133968

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide?
The IUPAC name of 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide (CID 67130283) is 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide.
What is the SMILES notation for 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide?
The canonical SMILES for 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide is CC(C)(/N=N/C(C)(C)/C(N)=N/C1=CCCC=C1)/C(N)=N/C1=CCCC=C1.
What is the InChIKey of 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide?
The InChIKey is GYSPTSGCTAGJQA-OCEACIFDSA-N. The full InChI is InChI=1S/C20H30N6/c1-19(2,17(21)23-15-11-7-5-8-12-15)25-26-20(3,4)18(22)24-16-13-9-6-10-14-16/h7,9,11-14H,5-6,8,10H2,1-4H3,(H2,21,23)(H2,22,24)/b26-25+.
What are the key properties of 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide?
2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide has a molecular weight of 354.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide is sourced from PubChem (CID 67130283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).