1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine

C20H34N4O — CID 111199504

IUPAC1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCCCN1CCOCC1
InChIInChI=1S/C20H34N4O/c1-2-21-20(23-13-8-11-19-9-4-3-5-10-19)22-12-6-7-14-24-15-17-25-18-16-24/h3-5,9-10H,2,6-8,11-18H2,1H3,(H2,21,22,23)
InChIKeyRPZHSXBDYFCOHP-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.29
Rot. Bonds10

About 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine

1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine (PubChem CID 111199504) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
PubChem CID111199504
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCCCN1CCOCC1
InChIInChI=1S/C20H34N4O/c1-2-21-20(23-13-8-11-19-9-4-3-5-10-19)22-12-6-7-14-24-15-17-25-18-16-24/h3-5,9-10H,2,6-8,11-18H2,1H3,(H2,21,22,23)
InChIKeyRPZHSXBDYFCOHP-UHFFFAOYSA-N
XLogP2.29
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.29
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

1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
CID 110972271
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111199010
2-(2,2-diphenylethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111357126
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 111883185
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199678
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111575109
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971855
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
CID 110971895
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine (CID 111199504) is 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine is CCN/C(=N\CCCc1ccccc1)NCCCCN1CCOCC1.
What is the InChIKey of 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine?
The InChIKey is RPZHSXBDYFCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-2-21-20(23-13-8-11-19-9-4-3-5-10-19)22-12-6-7-14-24-15-17-25-18-16-24/h3-5,9-10H,2,6-8,11-18H2,1H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine?
1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 111199504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).