1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C19H32N4O — CID 110954790

IUPAC1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O/c1-16(2)13-18(23-9-11-24-12-10-23)15-22-19(20-3)21-14-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22)
InChIKeyQFGFNFUSONKNBI-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.10
Rot. Bonds7

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

1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 110954790) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID110954790
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O/c1-16(2)13-18(23-9-11-24-12-10-23)15-22-19(20-3)21-14-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22)
InChIKeyQFGFNFUSONKNBI-UHFFFAOYSA-N
XLogP2.10
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.10
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

1-[(3-fluorophenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111876493
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935339
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111266471
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935304
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111935160
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111936135
N-tert-butyl-3-[[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]methyl]benzamide
CID 111935235
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006584
N-[3-[[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111934935
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111934905
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111935527

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 110954790) is 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is C/N=C(\NCc1ccccc1)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is QFGFNFUSONKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16(2)13-18(23-9-11-24-12-10-23)15-22-19(20-3)21-14-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 110954790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).