1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine

C14H29N3 — CID 111986503

IUPAC1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CC(CC)CC)NCC
InChIInChI=1S/C14H29N3/c1-5-9-10-11-16-14(15-8-4)17-12-13(6-2)7-3/h5,9,13H,6-8,10-12H2,1-4H3,(H2,15,16,17)/b9-5+
InChIKeySVMQAPVESATUIE-WEVVVXLNSA-N
MW239.41 g/mol
LogP2.94
Rot. Bonds8

About 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine

1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine (PubChem CID 111986503) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine
PubChem CID111986503
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(=N/CC(CC)CC)NCC
InChIInChI=1S/C14H29N3/c1-5-9-10-11-16-14(15-8-4)17-12-13(6-2)7-3/h5,9,13H,6-8,10-12H2,1-4H3,(H2,15,16,17)/b9-5+
InChIKeySVMQAPVESATUIE-WEVVVXLNSA-N
XLogP2.94
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
CID 123570444
1,2-dimethyl-3-[(Z)-undec-5-enyl]guanidine
CID 141676982
N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
CID 166907437
1-(Diaminomethylidene)-3-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]guanidine
CID 176523951
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
2-Butyl-1-cyclopent-3-en-1-yl-3-ethylguanidine
CID 99714111
1-(Cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
CID 99850633
1-Cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
CID 99850634
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109470477
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109470478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine (CID 111986503) is 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine is C/C=C/CCN/C(=N/CC(CC)CC)NCC.
What is the InChIKey of 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine?
The InChIKey is SVMQAPVESATUIE-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-9-10-11-16-14(15-8-4)17-12-13(6-2)7-3/h5,9,13H,6-8,10-12H2,1-4H3,(H2,15,16,17)/b9-5+.
What are the key properties of 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine?
1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine has a molecular weight of 239.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylbutyl)-3-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 111986503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).