1-cyclobutyl-1,2,3-trimethylguanidine

C8H17N3 — CID 131097015

IUPAC1-cyclobutyl-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)C1CCC1
InChIInChI=1S/C8H17N3/c1-9-8(10-2)11(3)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyFJJZPAJDDUQCIF-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.68
Rot. Bonds1

About 1-cyclobutyl-1,2,3-trimethylguanidine

1-cyclobutyl-1,2,3-trimethylguanidine (PubChem CID 131097015) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-cyclobutyl-1,2,3-trimethylguanidine.

Molecular Properties

Compound Name1-cyclobutyl-1,2,3-trimethylguanidine
PubChem CID131097015
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-cyclobutyl-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)C1CCC1
InChIInChI=1S/C8H17N3/c1-9-8(10-2)11(3)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyFJJZPAJDDUQCIF-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-1,3-dimethylurea
CID 66861755
1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233
3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
CID 104881985
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
3-amino-2-butyl-1-cyclohexyl-1-methylguanidine
CID 104883178
1,2,3-trimethyl-1-prop-1-ynylguanidine
CID 87802569
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
3-butyl-1,1-dicyclohexyl-2-methylguanidine
CID 89443004

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1,2,3-trimethylguanidine?
The IUPAC name of 1-cyclobutyl-1,2,3-trimethylguanidine (CID 131097015) is 1-cyclobutyl-1,2,3-trimethylguanidine.
What is the SMILES notation for 1-cyclobutyl-1,2,3-trimethylguanidine?
The canonical SMILES for 1-cyclobutyl-1,2,3-trimethylguanidine is C/N=C(\NC)N(C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1,2,3-trimethylguanidine?
The InChIKey is FJJZPAJDDUQCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-9-8(10-2)11(3)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 1-cyclobutyl-1,2,3-trimethylguanidine?
1-cyclobutyl-1,2,3-trimethylguanidine has a molecular weight of 155.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1,2,3-trimethylguanidine is sourced from PubChem (CID 131097015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).