1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine

C15H25N3O — CID 111072853

IUPAC1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine
SMILESCCCOc1cccc(CN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C15H25N3O/c1-6-10-19-14-9-7-8-13(11-14)12-16-15(17(2)3)18(4)5/h7-9,11H,6,10,12H2,1-5H3
InChIKeyLQWXNGWLEPVUMO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds5

About 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine (PubChem CID 111072853) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine
PubChem CID111072853
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine
SMILESCCCOc1cccc(CN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C15H25N3O/c1-6-10-19-14-9-7-8-13(11-14)12-16-15(17(2)3)18(4)5/h7-9,11H,6,10,12H2,1-5H3
InChIKeyLQWXNGWLEPVUMO-UHFFFAOYSA-N
XLogP2.45
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
1-(3-methylphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072818
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
1-cyclopropyl-3-ethyl-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 110988349
1-butyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-ethyl-1-methylguanidine
CID 111159419
N,N-dimethyl-3-propoxybenzamide
CID 28639811
2-[(3-butoxyphenyl)methyl]-1-propan-2-ylguanidine
CID 111049510
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-propoxyphenyl)methyl]guanidine
CID 111072841
1-(2,5-diethoxyphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072870
1-prop-2-enyl-3-propoxybenzene
CID 91655995
2-oxo-3-(3-propoxyphenyl)propanoic acid
CID 62497459

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine (CID 111072853) is 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine is CCCOc1cccc(CN=C(N(C)C)N(C)C)c1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine?
The InChIKey is LQWXNGWLEPVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-10-19-14-9-7-8-13(11-14)12-16-15(17(2)3)18(4)5/h7-9,11H,6,10,12H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111072853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).