1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine

C20H34N4O — CID 110954798

IUPAC1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
SMILESCCC(CC)C(CN/C(=N/C)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-4-18(5-2)19(24-11-13-25-14-12-24)16-23-20(21-3)22-15-17-9-7-6-8-10-17/h6-10,18-19H,4-5,11-16H2,1-3H3,(H2,21,22,23)
InChIKeyRTAPJFJAQKPFCX-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.49
Rot. Bonds8

About 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine

1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine (PubChem CID 110954798) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine.

Molecular Properties

Compound Name1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
PubChem CID110954798
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
SMILESCCC(CC)C(CN/C(=N/C)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-4-18(5-2)19(24-11-13-25-14-12-24)16-23-20(21-3)22-15-17-9-7-6-8-10-17/h6-10,18-19H,4-5,11-16H2,1-3H3,(H2,21,22,23)
InChIKeyRTAPJFJAQKPFCX-UHFFFAOYSA-N
XLogP2.49
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.49
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

3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111936698
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111218239
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936681
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111936498
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111936499
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111843746
N-[3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide
CID 111936249
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376628
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111936358
2-[3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111936365
2-[3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111936364
1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110954790

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine?
The IUPAC name of 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine (CID 110954798) is 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine.
What is the SMILES notation for 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine?
The canonical SMILES for 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine is CCC(CC)C(CN/C(=N/C)NCc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine?
The InChIKey is RTAPJFJAQKPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-4-18(5-2)19(24-11-13-25-14-12-24)16-23-20(21-3)22-15-17-9-7-6-8-10-17/h6-10,18-19H,4-5,11-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine?
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine has a molecular weight of 346.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine is sourced from PubChem (CID 110954798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).