1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine

C20H34N4O — CID 111779331

IUPAC1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
SMILESC/N=C(\NCCCOC)NCC1(NC(C)c2ccccc2)CCCC1
InChIInChI=1S/C20H34N4O/c1-17(18-10-5-4-6-11-18)24-20(12-7-8-13-20)16-23-19(21-2)22-14-9-15-25-3/h4-6,10-11,17,24H,7-9,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyLVIGPEYLWIHFFY-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.85
Rot. Bonds9

About 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine

1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine (PubChem CID 111779331) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
PubChem CID111779331
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
SMILESC/N=C(\NCCCOC)NCC1(NC(C)c2ccccc2)CCCC1
InChIInChI=1S/C20H34N4O/c1-17(18-10-5-4-6-11-18)24-20(12-7-8-13-20)16-23-19(21-2)22-14-9-15-25-3/h4-6,10-11,17,24H,7-9,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyLVIGPEYLWIHFFY-UHFFFAOYSA-N
XLogP2.85
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxypropyl)-2-methyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111829358
2-methyl-1-[[1-(1-phenylethylamino)cyclopentyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779427
1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 110976301
1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110975059
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 109428927
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111831250
2-methyl-1-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-3-prop-2-enylguanidine
CID 111826452
1-(3-methoxypropyl)-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111759040
2-methyl-1-[(2-methylphenyl)methyl]-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111831193
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852754
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111406142
2-methyl-1-(5-methylhexan-2-yl)-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111828695

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine (CID 111779331) is 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine is C/N=C(\NCCCOC)NCC1(NC(C)c2ccccc2)CCCC1.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The InChIKey is LVIGPEYLWIHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-17(18-10-5-4-6-11-18)24-20(12-7-8-13-20)16-23-19(21-2)22-14-9-15-25-3/h4-6,10-11,17,24H,7-9,12-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine is sourced from PubChem (CID 111779331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).