3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

C15H27N3 — CID 109496358

IUPAC3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCC1=CCCC1
InChIInChI=1S/C15H27N3/c1-4-5-8-13-18(3)15(16-2)17-12-11-14-9-6-7-10-14/h4,9H,1,5-8,10-13H2,2-3H3,(H,16,17)
InChIKeyPPBIFFPDDMCIOG-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds7

About 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109496358) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109496358
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCC1=CCCC1
InChIInChI=1S/C15H27N3/c1-4-5-8-13-18(3)15(16-2)17-12-11-14-9-6-7-10-14/h4,9H,1,5-8,10-13H2,2-3H3,(H,16,17)
InChIKeyPPBIFFPDDMCIOG-UHFFFAOYSA-N
XLogP2.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
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

3-[2-[4-(dimethylamino)phenyl]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498453
3-[2-(5-bromofuran-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496888
3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497082
3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497277
1,2-dimethyl-1-pent-4-enyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 109497572
1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109496114
1,2-dimethyl-1-pent-4-enyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109496802
3-(4,4-dimethylpentyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499166
3-[2-[ethyl(methyl)amino]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498005
3-[2-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]ethyl]-N-methylbenzamide
CID 109496268
3-(2-ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
3-(2-ethylsulfonylethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496093

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109496358) is 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCCC1=CCCC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is PPBIFFPDDMCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-8-13-18(3)15(16-2)17-12-11-14-9-6-7-10-14/h4,9H,1,5-8,10-13H2,2-3H3,(H,16,17).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 249.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109496358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).