2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine

C11H21N3 — CID 131181910

IUPAC2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1C2CCCCC21
InChIInChI=1S/C11H21N3/c1-7(2)13-11(12)14-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyPEYLOFBGOBFBDX-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine

2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine (PubChem CID 131181910) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
PubChem CID131181910
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1C2CCCCC21
InChIInChI=1S/C11H21N3/c1-7(2)13-11(12)14-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyPEYLOFBGOBFBDX-UHFFFAOYSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
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'}

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Related Compounds

2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
CID 62363982
2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
CID 130637018
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
CID 122098461
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
CID 122125683
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine
CID 62364272

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine (CID 131181910) is 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/C1C2CCCCC21.
What is the InChIKey of 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine?
The InChIKey is PEYLOFBGOBFBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)13-11(12)14-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine?
2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 131181910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).