2-ethyl-1-pent-4-en-2-ylguanidine

C8H17N3 — CID 115769273

IUPAC2-ethyl-1-pent-4-en-2-ylguanidine
SMILESC=CCC(C)N/C(N)=N/CC
InChIInChI=1S/C8H17N3/c1-4-6-7(3)11-8(9)10-5-2/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11)
InChIKeyMWXAWEJUPBVYNH-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds4

About 2-ethyl-1-pent-4-en-2-ylguanidine

2-ethyl-1-pent-4-en-2-ylguanidine (PubChem CID 115769273) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-1-pent-4-en-2-ylguanidine.

Molecular Properties

Compound Name2-ethyl-1-pent-4-en-2-ylguanidine
PubChem CID115769273
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name2-ethyl-1-pent-4-en-2-ylguanidine
SMILESC=CCC(C)N/C(N)=N/CC
InChIInChI=1S/C8H17N3/c1-4-6-7(3)11-8(9)10-5-2/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11)
InChIKeyMWXAWEJUPBVYNH-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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'}

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Related Compounds

1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
2-ethyl-1-[(3R)-3-fluorohex-5-en-2-yl]guanidine
CID 146490883
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 68852810
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
1-But-3-enyl-2-methylguanidine
CID 116035410
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
CID 134350120
N'-but-3-en-2-yl-N-propan-2-ylmethanimidamide
CID 155371555

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-pent-4-en-2-ylguanidine?
The IUPAC name of 2-ethyl-1-pent-4-en-2-ylguanidine (CID 115769273) is 2-ethyl-1-pent-4-en-2-ylguanidine.
What is the SMILES notation for 2-ethyl-1-pent-4-en-2-ylguanidine?
The canonical SMILES for 2-ethyl-1-pent-4-en-2-ylguanidine is C=CCC(C)N/C(N)=N/CC.
What is the InChIKey of 2-ethyl-1-pent-4-en-2-ylguanidine?
The InChIKey is MWXAWEJUPBVYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-6-7(3)11-8(9)10-5-2/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11).
What are the key properties of 2-ethyl-1-pent-4-en-2-ylguanidine?
2-ethyl-1-pent-4-en-2-ylguanidine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-pent-4-en-2-ylguanidine is sourced from PubChem (CID 115769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).