1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine

C20H34N4 — CID 111077961

IUPAC1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine
SMILESCN(Cc1ccccc1C/N=C(\N)NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H34N4/c1-20(2,3)23-19(21)22-14-16-10-8-9-11-17(16)15-24(4)18-12-6-5-7-13-18/h8-11,18H,5-7,12-15H2,1-4H3,(H3,21,22,23)
InChIKeyCZJSMXDFPMEUDI-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.65
Rot. Bonds5

About 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine

1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine (PubChem CID 111077961) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine
PubChem CID111077961
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine
SMILESCN(Cc1ccccc1C/N=C(\N)NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H34N4/c1-20(2,3)23-19(21)22-14-16-10-8-9-11-17(16)15-24(4)18-12-6-5-7-13-18/h8-11,18H,5-7,12-15H2,1-4H3,(H3,21,22,23)
InChIKeyCZJSMXDFPMEUDI-UHFFFAOYSA-N
XLogP3.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.65
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

2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine
CID 111077965
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
1-tert-butyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]guanidine
CID 111819150
2-[[N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111364653
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
4-acetyl-N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110964100
1-tert-butyl-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111799832
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
1-tert-butyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052596
1-tert-butyl-2-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethylguanidine
CID 110966760

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine (CID 111077961) is 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine is CN(Cc1ccccc1C/N=C(\N)NC(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine?
The InChIKey is CZJSMXDFPMEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-20(2,3)23-19(21)22-14-16-10-8-9-11-17(16)15-24(4)18-12-6-5-7-13-18/h8-11,18H,5-7,12-15H2,1-4H3,(H3,21,22,23).
What are the key properties of 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine?
1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine has a molecular weight of 330.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).