1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine

C14H27N3 — CID 122098227

IUPAC1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
SMILESCC1(C)CCCC(C/N=C(\N)NC2CCC2)C1
InChIInChI=1S/C14H27N3/c1-14(2)8-4-5-11(9-14)10-16-13(15)17-12-6-3-7-12/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyFLIVGFBLJBFDNP-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine

1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine (PubChem CID 122098227) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
PubChem CID122098227
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
SMILESCC1(C)CCCC(C/N=C(\N)NC2CCC2)C1
InChIInChI=1S/C14H27N3/c1-14(2)8-4-5-11(9-14)10-16-13(15)17-12-6-3-7-12/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyFLIVGFBLJBFDNP-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine (CID 122098227) is 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine is CC1(C)CCCC(C/N=C(\N)NC2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine?
The InChIKey is FLIVGFBLJBFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2)8-4-5-11(9-14)10-16-13(15)17-12-6-3-7-12/h11-12H,3-10H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine?
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 122098227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).