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

C10H19N3 — CID 156730592

IUPACethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
SMILESC=C.C=CC(N/C(N)=N/C)=C(C)C
InChIInChI=1S/C8H15N3.C2H4/c1-5-7(6(2)3)11-8(9)10-4;1-2/h5H,1H2,2-4H3,(H3,9,10,11);1-2H2
InChIKeyBIRPEWOHSXVKPU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.80
Rot. Bonds2

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

ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine (PubChem CID 156730592) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine.

Molecular Properties

Compound Nameethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
PubChem CID156730592
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine
SMILESC=C.C=CC(N/C(N)=N/C)=C(C)C
InChIInChI=1S/C8H15N3.C2H4/c1-5-7(6(2)3)11-8(9)10-4;1-2/h5H,1H2,2-4H3,(H3,9,10,11);1-2H2
InChIKeyBIRPEWOHSXVKPU-UHFFFAOYSA-N
XLogP1.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.80
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
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
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
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
N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide
CID 165120437
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine
CID 176533287
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
CID 148737782

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The IUPAC name of ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine (CID 156730592) is ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine.
What is the SMILES notation for ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The canonical SMILES for ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine is C=C.C=CC(N/C(N)=N/C)=C(C)C.
What is the InChIKey of ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
The InChIKey is BIRPEWOHSXVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.C2H4/c1-5-7(6(2)3)11-8(9)10-4;1-2/h5H,1H2,2-4H3,(H3,9,10,11);1-2H2.
What are the key properties of ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine?
ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-1-(4-methylpenta-1,3-dien-3-yl)guanidine is sourced from PubChem (CID 156730592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).