1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

C22H36N4 — CID 111019127

IUPAC1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CC2(c3ccccc3C)CC2)NCC)CC1
InChIInChI=1S/C22H36N4/c1-4-14-26-15-10-19(11-16-26)25-21(23-5-2)24-17-22(12-13-22)20-9-7-6-8-18(20)3/h6-9,19H,4-5,10-17H2,1-3H3,(H2,23,24,25)
InChIKeyBFRYBMOSWJOHFG-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.46
Rot. Bonds7

About 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine

1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111019127) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111019127
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CC2(c3ccccc3C)CC2)NCC)CC1
InChIInChI=1S/C22H36N4/c1-4-14-26-15-10-19(11-16-26)25-21(23-5-2)24-17-22(12-13-22)20-9-7-6-8-18(20)3/h6-9,19H,4-5,10-17H2,1-3H3,(H2,23,24,25)
InChIKeyBFRYBMOSWJOHFG-UHFFFAOYSA-N
XLogP3.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.46
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-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834557
ethyl 4-[[N-ethyl-N'-[[1-(2-methylphenyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111330173
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019928
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111965467
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-propan-2-ylguanidine
CID 111125690
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979201
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111827119
2-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017133
1-ethyl-2-(3-phenoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018552
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017367
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018803
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111771771

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine (CID 111019127) is 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/CC2(c3ccccc3C)CC2)NCC)CC1.
What is the InChIKey of 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is BFRYBMOSWJOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4/c1-4-14-26-15-10-19(11-16-26)25-21(23-5-2)24-17-22(12-13-22)20-9-7-6-8-18(20)3/h6-9,19H,4-5,10-17H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine?
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 356.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111019127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).