1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine

C21H37N3 — CID 162820217

IUPAC1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine
SMILESCC(C)=CCCC(C)=CC/N=C(\N)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24)
InChIKeyWWGVMWNCEFTAEP-UHFFFAOYSA-N
MW331.55 g/mol
LogP5.28
Rot. Bonds10

About 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine

1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine (PubChem CID 162820217) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine
PubChem CID162820217
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine
SMILESCC(C)=CCCC(C)=CC/N=C(\N)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24)
InChIKeyWWGVMWNCEFTAEP-UHFFFAOYSA-N
XLogP5.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.55
LogP ≤ 55.28
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nitensidine A
CID 10246147
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine
CID 118711169
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide
CID 123384239
[Amino-(3,4,4-trimethylhex-2-enylamino)methylidene]-methylazanium
CID 163662683
2-[2-(Cyclopenten-1-yl)ethyl]-1-ethylguanidine
CID 103842916
1-[2-(Cyclopenten-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 112436666
2-Methyl-1-(4-methylpent-3-enyl)guanidine
CID 130944144
1,2-Dimethyl-3-(4-methylpent-3-enyl)guanidine
CID 131097837
1,2-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]guanidine
CID 132606932
N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
CID 143159793
1,2-Bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine
CID 163066373

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine?
The IUPAC name of 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine (CID 162820217) is 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine.
What is the SMILES notation for 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine?
The canonical SMILES for 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine is CC(C)=CCCC(C)=CC/N=C(\N)NCC=C(C)CCC=C(C)C.
What is the InChIKey of 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine?
The InChIKey is WWGVMWNCEFTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24).
What are the key properties of 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine?
1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine has a molecular weight of 331.55 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,7-dimethylocta-2,6-dienyl)guanidine is sourced from PubChem (CID 162820217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).