1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine

C14H19Cl2N3 — CID 110030987

IUPAC1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCCc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H19Cl2N3/c1-19(12-6-7-12)14(17)18-8-2-3-10-4-5-11(15)9-13(10)16/h4-5,9,12H,2-3,6-8H2,1H3,(H2,17,18)
InChIKeyWZCXIIFAEATETJ-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.33
Rot. Bonds5

About 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine

1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine (PubChem CID 110030987) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
PubChem CID110030987
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCCc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H19Cl2N3/c1-19(12-6-7-12)14(17)18-8-2-3-10-4-5-11(15)9-13(10)16/h4-5,9,12H,2-3,6-8H2,1H3,(H2,17,18)
InChIKeyWZCXIIFAEATETJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine (CID 110030987) is 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine is CN(/C(N)=N/CCCc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine?
The InChIKey is WZCXIIFAEATETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c1-19(12-6-7-12)14(17)18-8-2-3-10-4-5-11(15)9-13(10)16/h4-5,9,12H,2-3,6-8H2,1H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine?
1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine has a molecular weight of 300.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine is sourced from PubChem (CID 110030987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).