2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine

C14H27N3 — CID 122098316

IUPAC2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC1(C2CCC2)CCC1)N(C)C
InChIInChI=1S/C14H27N3/c1-16(2)13(17(3)4)15-11-14(9-6-10-14)12-7-5-8-12/h12H,5-11H2,1-4H3
InChIKeyFVRSHTXRXYPEDW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.44
Rot. Bonds3

About 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine

2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 122098316) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID122098316
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC1(C2CCC2)CCC1)N(C)C
InChIInChI=1S/C14H27N3/c1-16(2)13(17(3)4)15-11-14(9-6-10-14)12-7-5-8-12/h12H,5-11H2,1-4H3
InChIKeyFVRSHTXRXYPEDW-UHFFFAOYSA-N
XLogP2.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
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

1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
CID 122097884
2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111803509
2-[(1-cyclopropylcyclobutyl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474695
2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111076575
2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine
CID 103837179
[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
CID 103837178
2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 122082719
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815
N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine
CID 112716504
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine (CID 122098316) is 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCC1(C2CCC2)CCC1)N(C)C.
What is the InChIKey of 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is FVRSHTXRXYPEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16(2)13(17(3)4)15-11-14(9-6-10-14)12-7-5-8-12/h12H,5-11H2,1-4H3.
What are the key properties of 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine?
2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutylcyclobutyl)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122098316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).