3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine

C8H18N4 — CID 104881908

IUPAC3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C8H18N4/c1-10-8(11-9)12(2)6-7-4-3-5-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyWGSHMTYPQMIPSV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.17
Rot. Bonds2

About 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine

3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine (PubChem CID 104881908) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
PubChem CID104881908
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C8H18N4/c1-10-8(11-9)12(2)6-7-4-3-5-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyWGSHMTYPQMIPSV-UHFFFAOYSA-N
XLogP0.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine (CID 104881908) is 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine is C/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine?
The InChIKey is WGSHMTYPQMIPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-10-8(11-9)12(2)6-7-4-3-5-7/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine?
3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 104881908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).