1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine

C12H23N3 — CID 103842913

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1=CCCC1
InChIInChI=1S/C12H23N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h5,10H,3-4,6-9H2,1-2H3,(H3,13,14,15)
InChIKeyPLVLQEIXCMTFRB-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 103842913) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID103842913
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1=CCCC1
InChIInChI=1S/C12H23N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h5,10H,3-4,6-9H2,1-2H3,(H3,13,14,15)
InChIKeyPLVLQEIXCMTFRB-UHFFFAOYSA-N
XLogP2.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.05
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

2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
3-(4-Methylpent-3-en-1-yl)-1-[9-([7-[(4-methylpent-3-en-1-yl)-carbamimidamido]heptyl]amino)nonyl]guanidine
CID 129661500
1-[2-(Cyclopenten-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471598
1-[2-(Cyclopenten-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471599
1-[2-(Cyclopenten-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474726
1-[2-(Cyclopenten-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109474727
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 111778451
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778453

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 103842913) is 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is PLVLQEIXCMTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h5,10H,3-4,6-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 209.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 103842913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).