2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine

C20H34N4O — CID 111171777

IUPAC2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
SMILESC/N=C(\NCCCCN1CCOCC1)NC(C)CCc1ccccc1
InChIInChI=1S/C20H34N4O/c1-18(10-11-19-8-4-3-5-9-19)23-20(21-2)22-12-6-7-13-24-14-16-25-17-15-24/h3-5,8-9,18H,6-7,10-17H2,1-2H3,(H2,21,22,23)
InChIKeyUZHGCRYTJGVJFV-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.29
Rot. Bonds9

About 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine

2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine (PubChem CID 111171777) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
PubChem CID111171777
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
SMILESC/N=C(\NCCCCN1CCOCC1)NC(C)CCc1ccccc1
InChIInChI=1S/C20H34N4O/c1-18(10-11-19-8-4-3-5-9-19)23-20(21-2)22-12-6-7-13-24-14-16-25-17-15-24/h3-5,8-9,18H,6-7,10-17H2,1-2H3,(H2,21,22,23)
InChIKeyUZHGCRYTJGVJFV-UHFFFAOYSA-N
XLogP2.29
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109389216
2-methyl-1-[3-(oxan-4-yloxy)propyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111772745
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111362299
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(4-morpholin-4-ylbutyl)guanidine
CID 111298689
methyl 5-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]pentanoate
CID 111172561
2-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
CID 111199504
2-methyl-1-(4-methylsulfanylbutyl)-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111792832
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111178514
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111010707
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine (CID 111171777) is 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine is C/N=C(\NCCCCN1CCOCC1)NC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine?
The InChIKey is UZHGCRYTJGVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-18(10-11-19-8-4-3-5-9-19)23-20(21-2)22-12-6-7-13-24-14-16-25-17-15-24/h3-5,8-9,18H,6-7,10-17H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine?
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 111171777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).