1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine

C19H30N4O — CID 110990423

IUPAC1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)NC1CCCC1
InChIInChI=1S/C19H30N4O/c1-20-19(22-17-9-5-6-10-17)21-15-18(16-7-3-2-4-8-16)23-11-13-24-14-12-23/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H2,20,21,22)
InChIKeyDSEKHPVOBJZURJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.17
Rot. Bonds5

About 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine

1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine (PubChem CID 110990423) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
PubChem CID110990423
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCOCC1)NC1CCCC1
InChIInChI=1S/C19H30N4O/c1-20-19(22-17-9-5-6-10-17)21-15-18(16-7-3-2-4-8-16)23-11-13-24-14-12-23/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H2,20,21,22)
InChIKeyDSEKHPVOBJZURJ-UHFFFAOYSA-N
XLogP2.17
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 110990466
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909967
1-cyclohexyl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 110957533
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110991592
1-cyclobutyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119146331
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 109457741
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316342
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442178
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111416049
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326635
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018835

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine (CID 110990423) is 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine is C/N=C(\NCC(c1ccccc1)N1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The InChIKey is DSEKHPVOBJZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-20-19(22-17-9-5-6-10-17)21-15-18(16-7-3-2-4-8-16)23-11-13-24-14-12-23/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine?
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine has a molecular weight of 330.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine is sourced from PubChem (CID 110990423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).