1,2-diethyl-3-(2-phenylcyclopropyl)guanidine

C14H21N3 — CID 47091817

IUPAC1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(\NCC)NC1CC1c1ccccc1
InChIInChI=1S/C14H21N3/c1-3-15-14(16-4-2)17-13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17)
InChIKeyLSJSLHYNLJYIMM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.12
Rot. Bonds4

About 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine

1,2-diethyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 47091817) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID47091817
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCC/N=C(\NCC)NC1CC1c1ccccc1
InChIInChI=1S/C14H21N3/c1-3-15-14(16-4-2)17-13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17)
InChIKeyLSJSLHYNLJYIMM-UHFFFAOYSA-N
XLogP2.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.12
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

1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 110967358
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 109408416
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111954848
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111262495
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111251167
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
1-ethyl-3-(2-phenylcyclopropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111586603

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine (CID 47091817) is 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine is CC/N=C(\NCC)NC1CC1c1ccccc1.
What is the InChIKey of 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is LSJSLHYNLJYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-15-14(16-4-2)17-13-10-12(13)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine?
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 47091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).