1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine

C12H25N3O — CID 62361697

IUPAC1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-7-14-12(13)15(8-9-16-3)10(2)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyYTTYSELGWNBQAC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds7

About 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine

1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine (PubChem CID 62361697) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine
PubChem CID62361697
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-7-14-12(13)15(8-9-16-3)10(2)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyYTTYSELGWNBQAC-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
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 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine (CID 62361697) is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine is CCC/N=C(\N)N(CCOC)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine?
The InChIKey is YTTYSELGWNBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-7-14-12(13)15(8-9-16-3)10(2)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine?
1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine has a molecular weight of 227.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine is sourced from PubChem (CID 62361697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).