2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C21H34N4O — CID 111720871

IUPAC2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(C)CC(C/N=C(\N)Nc1cccc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C21H34N4O/c1-16(2)14-18(25-10-12-26-13-11-25)15-23-21(22)24-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9,16,18H,3-4,6,8,10-15H2,1-2H3,(H3,22,23,24)
InChIKeyGFCJUWFEAZSJFY-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111720871) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111720871
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(C)CC(C/N=C(\N)Nc1cccc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C21H34N4O/c1-16(2)14-18(25-10-12-26-13-11-25)15-23-21(22)24-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9,16,18H,3-4,6,8,10-15H2,1-2H3,(H3,22,23,24)
InChIKeyGFCJUWFEAZSJFY-UHFFFAOYSA-N
XLogP3.04
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.04
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-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721147
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111041525
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721293
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816848
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111822697
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
2-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119933993

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111720871) is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is CC(C)CC(C/N=C(\N)Nc1cccc2c1CCCC2)N1CCOCC1.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is GFCJUWFEAZSJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-16(2)14-18(25-10-12-26-13-11-25)15-23-21(22)24-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9,16,18H,3-4,6,8,10-15H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 358.53 g/mol, XLogP of 3.04, 6 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-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111720871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).