1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C18H30N4 — CID 111028792

IUPAC1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(C)(C)N2CCCCC2)c1
InChIInChI=1S/C18H30N4/c1-14-10-15(2)12-16(11-14)21-17(19)20-13-18(3,4)22-8-6-5-7-9-22/h10-12H,5-9,13H2,1-4H3,(H3,19,20,21)
InChIKeySNIQDSOPRNUYNW-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.29
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 111028792) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID111028792
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(C)(C)N2CCCCC2)c1
InChIInChI=1S/C18H30N4/c1-14-10-15(2)12-16(11-14)21-17(19)20-13-18(3,4)22-8-6-5-7-9-22/h10-12H,5-9,13H2,1-4H3,(H3,19,20,21)
InChIKeySNIQDSOPRNUYNW-UHFFFAOYSA-N
XLogP3.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111028845
2-[2-(azepan-1-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111056993
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
2-[2-(dimethylamino)-2-methylpropyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111028695
1-(3,5-dimethylphenyl)-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111823558
1-(3,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059744
1-(3,5-dimethylphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055095
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028
1-(3,5-dimethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035308

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 111028792) is 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is Cc1cc(C)cc(N/C(N)=N/CC(C)(C)N2CCCCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is SNIQDSOPRNUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-14-10-15(2)12-16(11-14)21-17(19)20-13-18(3,4)22-8-6-5-7-9-22/h10-12H,5-9,13H2,1-4H3,(H3,19,20,21).
What are the key properties of 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 302.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111028792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).