1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine

C11H17Cl2N5 — CID 111063524

IUPAC1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N5/c1-2-3-16-11(14)17-5-4-15-10-9(13)6-8(12)7-18-10/h6-7H,2-5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyIEOLCZKRIHLLMJ-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine (PubChem CID 111063524) has the molecular formula C11H17Cl2N5 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
PubChem CID111063524
Molecular FormulaC11H17Cl2N5
Molecular Weight290.20 g/mol
Exact Mass289.09
IUPAC Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N5/c1-2-3-16-11(14)17-5-4-15-10-9(13)6-8(12)7-18-10/h6-7H,2-5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyIEOLCZKRIHLLMJ-UHFFFAOYSA-N
XLogP2.11
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111063528
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472957
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114518
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
CID 136560466
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922099
N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 111063564
3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942200
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894418
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111405856

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine (CID 111063524) is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine is CCC/N=C(\N)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine?
The InChIKey is IEOLCZKRIHLLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N5/c1-2-3-16-11(14)17-5-4-15-10-9(13)6-8(12)7-18-10/h6-7H,2-5H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine?
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine has a molecular weight of 290.20 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine is sourced from PubChem (CID 111063524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).