1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine

C9H22N4 — CID 104886880

IUPAC1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(C)C(C)C)NN
InChIInChI=1S/C9H22N4/c1-5-11-9(13-10)12-6-8(4)7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyYJECGCJIUDYDJS-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

About 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine

1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine (PubChem CID 104886880) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
PubChem CID104886880
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(C)C(C)C)NN
InChIInChI=1S/C9H22N4/c1-5-11-9(13-10)12-6-8(4)7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyYJECGCJIUDYDJS-UHFFFAOYSA-N
XLogP0.71
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine
CID 104888729
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
CID 130878893
1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 104888774

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine?
The IUPAC name of 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine (CID 104886880) is 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine?
The canonical SMILES for 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine is CCN/C(=N\CC(C)C(C)C)NN.
What is the InChIKey of 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine?
The InChIKey is YJECGCJIUDYDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-5-11-9(13-10)12-6-8(4)7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine?
1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine is sourced from PubChem (CID 104886880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).