1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine

C15H17N3 — CID 139687703

IUPAC1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine
SMILESC=C1CC=CC=C1/N=C(\N)NC1=CC=CCC1=C
InChIInChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-6,9-10H,1-2,7-8H2,(H3,16,17,18)
InChIKeyJSFHNQZYYKEPNV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.69
Rot. Bonds2

About 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine

1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine (PubChem CID 139687703) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine.

Molecular Properties

Compound Name1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine
PubChem CID139687703
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine
SMILESC=C1CC=CC=C1/N=C(\N)NC1=CC=CCC1=C
InChIInChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-6,9-10H,1-2,7-8H2,(H3,16,17,18)
InChIKeyJSFHNQZYYKEPNV-UHFFFAOYSA-N
XLogP2.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.69
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

4,10,11,12-Tetrahydropyrimido[2,1-b][1,3]benzodiazepine
CID 54531493
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidin-2-amine
CID 68238807
3,5-Diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-4-amine
CID 87347317
1H-cyclohepta[d]pyrimidin-2-amine
CID 87501230
1-(6-methylcyclohexa-1,3-dien-1-yl)-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]guanidine
CID 89098625
5-Methyl-4-methylidene-3,7-dihydrocyclopenta[d]pyrimidin-2-amine
CID 134181285
5,7-Dimethyl-4-methylidene-3,7-dihydrocyclopenta[d]pyrimidin-2-amine
CID 134181666
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
3,5-Diazatricyclo[11.4.0.02,7]heptadeca-1,4,6,8,10,12,14,16-octaen-4-amine
CID 145678989
1H-cyclohepta[d]pyrimidine-2,4-diamine
CID 153822746
5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 155072452
8,9-dihydro-1H-perimidin-2-amine
CID 163722852

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine?
The IUPAC name of 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine (CID 139687703) is 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine.
What is the SMILES notation for 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine?
The canonical SMILES for 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine is C=C1CC=CC=C1/N=C(\N)NC1=CC=CCC1=C.
What is the InChIKey of 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine?
The InChIKey is JSFHNQZYYKEPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-6,9-10H,1-2,7-8H2,(H3,16,17,18).
What are the key properties of 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine?
1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine has a molecular weight of 239.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine is sourced from PubChem (CID 139687703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).