1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine

C9H21N5 — CID 104885761

IUPAC1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C)C1CC1)NN
InChIInChI=1S/C9H21N5/c1-3-11-9(13-10)12-6-7-14(2)8-4-5-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyQXPLUGKKXFHCFE-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.49
Rot. Bonds5

About 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine

1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine (PubChem CID 104885761) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
PubChem CID104885761
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C)C1CC1)NN
InChIInChI=1S/C9H21N5/c1-3-11-9(13-10)12-6-7-14(2)8-4-5-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyQXPLUGKKXFHCFE-UHFFFAOYSA-N
XLogP-0.49
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111544898
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292
ethyl 4-[[N'-[2-[cyclopentyl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838356
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915905
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111838734
2-[2-[cyclopentyl(methyl)amino]ethyl]guanidine
CID 63316564
2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
CID 111549121
2-[3-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine?
The IUPAC name of 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine (CID 104885761) is 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine?
The canonical SMILES for 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine is CCN/C(=N\CCN(C)C1CC1)NN.
What is the InChIKey of 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine?
The InChIKey is QXPLUGKKXFHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-3-11-9(13-10)12-6-7-14(2)8-4-5-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine?
1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine has a molecular weight of 199.30 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine is sourced from PubChem (CID 104885761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).