1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine

C17H29N3O2 — CID 110976301

IUPAC1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
SMILESC/N=C(\NCCCOC)NCCCOC(C)c1ccccc1
InChIInChI=1S/C17H29N3O2/c1-15(16-9-5-4-6-10-16)22-14-8-12-20-17(18-2)19-11-7-13-21-3/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H2,18,19,20)
InChIKeyKRKJKFBENBATNY-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.36
Rot. Bonds10

About 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine

1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine (PubChem CID 110976301) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
PubChem CID110976301
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
SMILESC/N=C(\NCCCOC)NCCCOC(C)c1ccccc1
InChIInChI=1S/C17H29N3O2/c1-15(16-9-5-4-6-10-16)22-14-8-12-20-17(18-2)19-11-7-13-21-3/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H2,18,19,20)
InChIKeyKRKJKFBENBATNY-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.36
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-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403196
1-butyl-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111152101
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111002571
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111400411
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403066
2-methyl-1-[3-(1-phenylethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778918
1-[3-(diethylamino)propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403007
2-methyl-N-[2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111403548
1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110975059
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403571
1-[3-(methanesulfonamido)propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403869
2,2-dimethyl-N-[2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111403927

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine (CID 110976301) is 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine is C/N=C(\NCCCOC)NCCCOC(C)c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine?
The InChIKey is KRKJKFBENBATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-15(16-9-5-4-6-10-16)22-14-8-12-20-17(18-2)19-11-7-13-21-3/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine?
1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine has a molecular weight of 307.44 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine is sourced from PubChem (CID 110976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).