2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine

C9H20N4 — CID 62980290

IUPAC2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCN(C)C1CC1
InChIInChI=1S/C9H20N4/c1-3-11-9(10)12-6-7-13(2)8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyIKUUKMRPLGPLHS-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.00
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine

2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine (PubChem CID 62980290) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine
PubChem CID62980290
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCN(C)C1CC1
InChIInChI=1S/C9H20N4/c1-3-11-9(10)12-6-7-13(2)8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyIKUUKMRPLGPLHS-UHFFFAOYSA-N
XLogP0.00
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine (CID 62980290) is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine is CCN/C(N)=N/CCN(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine?
The InChIKey is IKUUKMRPLGPLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-11-9(10)12-6-7-13(2)8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine?
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine is sourced from PubChem (CID 62980290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).