2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine

C20H28N4O — CID 111069794

IUPAC2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28N4O/c21-20(22-9-3-11-24-12-14-25-15-13-24)23-10-8-17-6-7-18-4-1-2-5-19(18)16-17/h1-2,4-7,16H,3,8-15H2,(H3,21,22,23)
InChIKeyNDWJBEKOWOPVDK-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.01
Rot. Bonds7

About 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine

2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine (PubChem CID 111069794) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
PubChem CID111069794
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28N4O/c21-20(22-9-3-11-24-12-14-25-15-13-24)23-10-8-17-6-7-18-4-1-2-5-19(18)16-17/h1-2,4-7,16H,3,8-15H2,(H3,21,22,23)
InChIKeyNDWJBEKOWOPVDK-UHFFFAOYSA-N
XLogP2.01
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
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

2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111027382
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111806293
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111079547
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-[2-(2,5-difluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111600901
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059039
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine (CID 111069794) is 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine is N/C(=N\CCCN1CCOCC1)NCCc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine?
The InChIKey is NDWJBEKOWOPVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c21-20(22-9-3-11-24-12-14-25-15-13-24)23-10-8-17-6-7-18-4-1-2-5-19(18)16-17/h1-2,4-7,16H,3,8-15H2,(H3,21,22,23).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine?
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine has a molecular weight of 340.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111069794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).