1-cyclohexa-1,5-dien-1-yl-2-methylguanidine

C8H13N3 — CID 143088471

IUPAC1-cyclohexa-1,5-dien-1-yl-2-methylguanidine
SMILESC/N=C(\N)NC1=CCCC=C1
InChIInChI=1S/C8H13N3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H3,9,10,11)
InChIKeyYYGQQGMBUSYVNW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.75
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine

1-cyclohexa-1,5-dien-1-yl-2-methylguanidine (PubChem CID 143088471) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-methylguanidine
PubChem CID143088471
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-methylguanidine
SMILESC/N=C(\N)NC1=CCCC=C1
InChIInChI=1S/C8H13N3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H3,9,10,11)
InChIKeyYYGQQGMBUSYVNW-UHFFFAOYSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.75
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-methylcyclohexa-1,3-dien-1-yl)-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]guanidine
CID 89098625
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160
6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 137483320
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 139305711
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203944
[Amino-(cyclohexa-1,5-dien-1-ylamino)methylidene]-methylazanium;ethane
CID 145594549
1-Cyclohepta-1,3,6-trien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 145606983
4,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154451700
5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 155072452
2-methyl-1-[(E)-1-[[(3Z,5Z)-nona-1,3,5-trien-2-yl]amino]pent-1-enyl]guanidine
CID 156457132

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine (CID 143088471) is 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine is C/N=C(\N)NC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine?
The InChIKey is YYGQQGMBUSYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H3,9,10,11).
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine?
1-cyclohexa-1,5-dien-1-yl-2-methylguanidine has a molecular weight of 151.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-methylguanidine is sourced from PubChem (CID 143088471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).