1-benzyl-2-cyclopropyl-1-ethylguanidine

C13H19N3 — CID 62361210

IUPAC1-benzyl-2-cyclopropyl-1-ethylguanidine
SMILESCCN(Cc1ccccc1)/C(N)=N/C1CC1
InChIInChI=1S/C13H19N3/c1-2-16(13(14)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,14,15)
InChIKeySOGQUGRSFRTMMM-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.99
Rot. Bonds4

About 1-benzyl-2-cyclopropyl-1-ethylguanidine

1-benzyl-2-cyclopropyl-1-ethylguanidine (PubChem CID 62361210) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-benzyl-2-cyclopropyl-1-ethylguanidine.

Molecular Properties

Compound Name1-benzyl-2-cyclopropyl-1-ethylguanidine
PubChem CID62361210
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-benzyl-2-cyclopropyl-1-ethylguanidine
SMILESCCN(Cc1ccccc1)/C(N)=N/C1CC1
InChIInChI=1S/C13H19N3/c1-2-16(13(14)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,14,15)
InChIKeySOGQUGRSFRTMMM-UHFFFAOYSA-N
XLogP1.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
CID 110030596
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-1-ethyl-2-(N'-octylcarbamimidoyl)guanidine
CID 86657183
2-[3-[benzyl(methyl)amino]butyl]-1,1-diethylguanidine;hydroiodide
CID 111600325
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
benzyl N-benzyl-N-ethylcarbamate
CID 70968693

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-cyclopropyl-1-ethylguanidine?
The IUPAC name of 1-benzyl-2-cyclopropyl-1-ethylguanidine (CID 62361210) is 1-benzyl-2-cyclopropyl-1-ethylguanidine.
What is the SMILES notation for 1-benzyl-2-cyclopropyl-1-ethylguanidine?
The canonical SMILES for 1-benzyl-2-cyclopropyl-1-ethylguanidine is CCN(Cc1ccccc1)/C(N)=N/C1CC1.
What is the InChIKey of 1-benzyl-2-cyclopropyl-1-ethylguanidine?
The InChIKey is SOGQUGRSFRTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-16(13(14)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,14,15).
What are the key properties of 1-benzyl-2-cyclopropyl-1-ethylguanidine?
1-benzyl-2-cyclopropyl-1-ethylguanidine has a molecular weight of 217.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-cyclopropyl-1-ethylguanidine is sourced from PubChem (CID 62361210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).