1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine

C17H28N4 — CID 110992389

IUPAC1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)c1ccccc1)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-3-18-17(20-15-9-7-8-10-15)19-13-14-21(2)16-11-5-4-6-12-16/h4-6,11-12,15H,3,7-10,13-14H2,1-2H3,(H2,18,19,20)
InChIKeyDAOSRXGEEZLTJW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.62
Rot. Bonds6

About 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine

1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine (PubChem CID 110992389) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
PubChem CID110992389
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)c1ccccc1)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-3-18-17(20-15-9-7-8-10-15)19-13-14-21(2)16-11-5-4-6-12-16/h4-6,11-12,15H,3,7-10,13-14H2,1-2H3,(H2,18,19,20)
InChIKeyDAOSRXGEEZLTJW-UHFFFAOYSA-N
XLogP2.62
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.62
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-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
CID 111189374
1-ethyl-2-[3-(N-methylanilino)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111953398
1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
2-(2-benzylsulfinylethyl)-1-cyclohexyl-3-ethylguanidine
CID 111758780
1-ethyl-2-[4-(N-methylanilino)butyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961606
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
1-cyclopentyl-3-ethyl-2-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110992728
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylethyl)guanidine
CID 110989049
2-butyl-1-ethyl-3-[2-(N-methylanilino)ethyl]guanidine
CID 111151774
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190428

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine (CID 110992389) is 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine is CCN/C(=N\CCN(C)c1ccccc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The InChIKey is DAOSRXGEEZLTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-17(20-15-9-7-8-10-15)19-13-14-21(2)16-11-5-4-6-12-16/h4-6,11-12,15H,3,7-10,13-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine is sourced from PubChem (CID 110992389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).