1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine

C11H16Cl2N4 — CID 116511440

IUPAC1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N4/c1-2-3-6-15-11(17-14)16-10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17)
InChIKeyGQFXCVHDNHZJCU-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.02
Rot. Bonds4

About 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine

1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine (PubChem CID 116511440) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
PubChem CID116511440
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N4/c1-2-3-6-15-11(17-14)16-10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17)
InChIKeyGQFXCVHDNHZJCU-UHFFFAOYSA-N
XLogP3.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2,5-dichlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116511445
1-amino-2-butyl-3-(2,4,5-trichlorophenyl)guanidine
CID 116511775
1-amino-3-(2-bromophenyl)-2-butylguanidine
CID 116512329
1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116513201
1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
CID 116515734
1-amino-3-(2-bromo-4-fluorophenyl)-2-butylguanidine
CID 116512697
1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
CID 107605066
1-amino-2-butyl-3-(2-methoxyphenyl)guanidine
CID 116511512
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
CID 116512257
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
N-(2,5-dichlorophenyl)heptanamide
CID 3294645

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine (CID 116511440) is 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine is CCCC/N=C(\NN)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine?
The InChIKey is GQFXCVHDNHZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-2-3-6-15-11(17-14)16-10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine?
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine has a molecular weight of 275.18 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine is sourced from PubChem (CID 116511440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).