2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine

C20H34N4O — CID 111041525

IUPAC2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)CC(C/N=C(\N)Nc1cccc(C(C)C)c1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-15(2)12-19(24-8-10-25-11-9-24)14-22-20(21)23-18-7-5-6-17(13-18)16(3)4/h5-7,13,15-16,19H,8-12,14H2,1-4H3,(H3,21,22,23)
InChIKeyJZXLPESSHYZRJU-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine

2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111041525) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111041525
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)CC(C/N=C(\N)Nc1cccc(C(C)C)c1)N1CCOCC1
InChIInChI=1S/C20H34N4O/c1-15(2)12-19(24-8-10-25-11-9-24)14-22-20(21)23-18-7-5-6-17(13-18)16(3)4/h5-7,13,15-16,19H,8-12,14H2,1-4H3,(H3,21,22,23)
InChIKeyJZXLPESSHYZRJU-UHFFFAOYSA-N
XLogP3.28
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.28
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

2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105
2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111027042
2-[(4-morpholin-4-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111063127
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099907
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720871
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111084119
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111096065
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111722071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine (CID 111041525) is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine is CC(C)CC(C/N=C(\N)Nc1cccc(C(C)C)c1)N1CCOCC1.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is JZXLPESSHYZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15(2)12-19(24-8-10-25-11-9-24)14-22-20(21)23-18-7-5-6-17(13-18)16(3)4/h5-7,13,15-16,19H,8-12,14H2,1-4H3,(H3,21,22,23).
What are the key properties of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111041525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).