2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine

C11H21N3 — CID 103842918

IUPAC2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCC1=CCCC1
InChIInChI=1S/C11H21N3/c1-9(2)14-11(12)13-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H3,12,13,14)
InChIKeyVQMUTTUFSBQQNL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds4

About 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine

2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine (PubChem CID 103842918) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine
PubChem CID103842918
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCC1=CCCC1
InChIInChI=1S/C11H21N3/c1-9(2)14-11(12)13-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H3,12,13,14)
InChIKeyVQMUTTUFSBQQNL-UHFFFAOYSA-N
XLogP1.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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-[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
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
5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 57079103
N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537
5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 67857825
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
CID 121451192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine (CID 103842918) is 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCC1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine?
The InChIKey is VQMUTTUFSBQQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)14-11(12)13-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine?
2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 103842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).