2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine

C8H15N3 — CID 156730593

IUPAC2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
SMILESC=CC(N/C(N)=N/C)=C(C)C
InChIInChI=1S/C8H15N3/c1-5-7(6(2)3)11-8(9)10-4/h5H,1H2,2-4H3,(H3,9,10,11)
InChIKeyARWJVJCFKGASPR-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine

2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine (PubChem CID 156730593) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
PubChem CID156730593
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
SMILESC=CC(N/C(N)=N/C)=C(C)C
InChIInChI=1S/C8H15N3/c1-5-7(6(2)3)11-8(9)10-4/h5H,1H2,2-4H3,(H3,9,10,11)
InChIKeyARWJVJCFKGASPR-UHFFFAOYSA-N
XLogP1.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(4E)-4-fluoro-2-methylhepta-2,4,6-trien-3-yl]-N'-methylcarbamimidoyl fluoride
CID 153584655
N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
2-methyl-1-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89881844
2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]guanidine
CID 134533572
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
Ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
CID 156730592
N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 156898302
[amino-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]amino]methylidene]-methylazanium
CID 163847774
2-chloro-5-methyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 163856048
ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 164589415
ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide
CID 165120354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The IUPAC name of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine (CID 156730593) is 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine is C=CC(N/C(N)=N/C)=C(C)C.
What is the InChIKey of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The InChIKey is ARWJVJCFKGASPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7(6(2)3)11-8(9)10-4/h5H,1H2,2-4H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine is sourced from PubChem (CID 156730593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).