1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine

C12H23N3 — CID 99850634

IUPAC1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NC1CC=CC1
InChIInChI=1S/C12H23N3/c1-4-13-12(14-9-10(2)3)15-11-7-5-6-8-11/h5-6,10-11H,4,7-9H2,1-3H3,(H2,13,14,15)
InChIKeyBIDJFCHTMPRIPJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.92
Rot. Bonds4

About 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine

1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 99850634) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
PubChem CID99850634
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NC1CC=CC1
InChIInChI=1S/C12H23N3/c1-4-13-12(14-9-10(2)3)15-11-7-5-6-8-11/h5-6,10-11H,4,7-9H2,1-3H3,(H2,13,14,15)
InChIKeyBIDJFCHTMPRIPJ-UHFFFAOYSA-N
XLogP1.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.92
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-Cyclopent-3-en-1-yl-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109768772
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109768773
1-Cyclopent-3-en-1-yl-3-ethyl-2-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109769704
1-Cyclopent-3-en-1-yl-3-ethyl-2-(5,5,5-trifluoropentyl)guanidine
CID 109769705
1-Cyclopent-3-en-1-yl-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109770242
1-Cyclopent-3-en-1-yl-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109770243
1-Cyclopent-3-en-1-yl-2-(2,2-difluoroethyl)-3-ethylguanidine
CID 109770265
1-Cyclopent-3-en-1-yl-3-(2,2-difluoroethyl)-2-methylguanidine
CID 109770909
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
1-Cyclopent-3-en-1-yl-2-methyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109772390
1-Cyclopent-3-en-1-yl-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109772391
N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine (CID 99850634) is 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NC1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is BIDJFCHTMPRIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-13-12(14-9-10(2)3)15-11-7-5-6-8-11/h5-6,10-11H,4,7-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine?
1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 209.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 99850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).