1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine

C16H22ClN3 — CID 120671626

IUPAC1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClN3/c17-14-6-2-5-12(7-14)13-8-15(9-13)20-16(18)19-10-11-3-1-4-11/h2,5-7,11,13,15H,1,3-4,8-10H2,(H3,18,19,20)
InChIKeyVILJRTQIZVCICO-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.29
Rot. Bonds4

About 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine

1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine (PubChem CID 120671626) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
PubChem CID120671626
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClN3/c17-14-6-2-5-12(7-14)13-8-15(9-13)20-16(18)19-10-11-3-1-4-11/h2,5-7,11,13,15H,1,3-4,8-10H2,(H3,18,19,20)
InChIKeyVILJRTQIZVCICO-UHFFFAOYSA-N
XLogP3.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.29
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-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine?
The IUPAC name of 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine (CID 120671626) is 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine?
The canonical SMILES for 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine is N/C(=N\CC1CCC1)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine?
The InChIKey is VILJRTQIZVCICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-14-6-2-5-12(7-14)13-8-15(9-13)20-16(18)19-10-11-3-1-4-11/h2,5-7,11,13,15H,1,3-4,8-10H2,(H3,18,19,20).
What are the key properties of 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine?
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine has a molecular weight of 291.83 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine is sourced from PubChem (CID 120671626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).