2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine

C18H29N3O — CID 111081352

IUPAC2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-13-20-17(19)21-14-18(11-5-4-6-12-18)15-7-9-16(22-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H3,19,20,21)
InChIKeyGZMIGPRNSYBAER-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.21
Rot. Bonds6

About 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine

2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine (PubChem CID 111081352) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
PubChem CID111081352
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-13-20-17(19)21-14-18(11-5-4-6-12-18)15-7-9-16(22-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H3,19,20,21)
InChIKeyGZMIGPRNSYBAER-UHFFFAOYSA-N
XLogP3.21
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.21
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-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
CID 111081360
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine
CID 111335934
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
CID 111110207
2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111081333
1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
CID 111807364
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111580915
2-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine
CID 110926705
2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
1-tert-butyl-2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 111813289
2-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110926714
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine (CID 111081352) is 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine?
The InChIKey is GZMIGPRNSYBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-13-20-17(19)21-14-18(11-5-4-6-12-18)15-7-9-16(22-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine?
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine has a molecular weight of 303.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine is sourced from PubChem (CID 111081352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).