2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine

C16H25N3O — CID 111812934

IUPAC2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccccc1OCC1CC1)N(C)C
InChIInChI=1S/C16H25N3O/c1-18(2)16(19(3)4)17-11-14-7-5-6-8-15(14)20-12-13-9-10-13/h5-8,13H,9-12H2,1-4H3
InChIKeyDBPBTWLTDKTVKH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.45
Rot. Bonds5

About 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine

2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111812934) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID111812934
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccccc1OCC1CC1)N(C)C
InChIInChI=1S/C16H25N3O/c1-18(2)16(19(3)4)17-11-14-7-5-6-8-15(14)20-12-13-9-10-13/h5-8,13H,9-12H2,1-4H3
InChIKeyDBPBTWLTDKTVKH-UHFFFAOYSA-N
XLogP2.45
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine (CID 111812934) is 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCc1ccccc1OCC1CC1)N(C)C.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is DBPBTWLTDKTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)16(19(3)4)17-11-14-7-5-6-8-15(14)20-12-13-9-10-13/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 275.40 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 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111812934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).