3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine

C9H20N4 — CID 104882564

IUPAC3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C9H20N4/c1-3-11-9(12-10)13(2)7-8-5-4-6-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyUMBXNWMLUQCHFP-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine

3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine (PubChem CID 104882564) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine
PubChem CID104882564
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C9H20N4/c1-3-11-9(12-10)13(2)7-8-5-4-6-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyUMBXNWMLUQCHFP-UHFFFAOYSA-N
XLogP0.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
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

N-amino-N',4-dimethylpiperidine-1-carboximidamide
CID 121599478
1-(Cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 62860850
1-(Cyclobutylmethyl)-2-ethyl-1-methylguanidine
CID 62861029
1-(Cyclobutylmethyl)-1-methyl-2-propylguanidine
CID 62861030
1-(Cyclobutylmethyl)-1,2-dimethylguanidine
CID 62861033
2-Amino-1-(cyclobutylmethyl)-1-methylguanidine
CID 77054140
1-(Cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine
CID 83036151
3-Amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
CID 104881908
N-amino-N',3,5-trimethylpiperidine-1-carboximidamide
CID 104881956
N-amino-N',3-dimethylpiperidine-1-carboximidamide
CID 104881958
3-Amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine
CID 104881973
3-Amino-1,2-dimethyl-1-(2-methylpropyl)guanidine
CID 104881978

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine (CID 104882564) is 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine is CC/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine?
The InChIKey is UMBXNWMLUQCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-11-9(12-10)13(2)7-8-5-4-6-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine?
3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine is sourced from PubChem (CID 104882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).