2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine

C12H21N3 — CID 51130757

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
SMILESN/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C12H21N3/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H3,13,14,15)
InChIKeySYHODXGIHFFVMK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine (PubChem CID 51130757) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
PubChem CID51130757
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
SMILESN/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C12H21N3/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H3,13,14,15)
InChIKeySYHODXGIHFFVMK-UHFFFAOYSA-N
XLogP1.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.94
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-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine
CID 122096891
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine
CID 110988630
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597502
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111025065
1-cyclobutyl-2-[2-(cyclohexen-1-yl)-2-methylpropyl]guanidine
CID 122095418
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine (CID 51130757) is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine is N/C(=N\CCC1=CCCCC1)NC1CC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine?
The InChIKey is SYHODXGIHFFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H3,13,14,15).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine?
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine has a molecular weight of 207.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine is sourced from PubChem (CID 51130757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).