1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine

C17H30Cl2N6O — CID 111651128

IUPAC1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCN(C)CCCOC)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H30Cl2N6O/c1-4-20-17(23-8-10-25(2)9-5-11-26-3)22-7-6-21-16-15(19)12-14(18)13-24-16/h12-13H,4-11H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyQUHVSKLZSXAFDD-UHFFFAOYSA-N
MW405.37 g/mol
LogP2.32
Rot. Bonds12

About 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine (PubChem CID 111651128) has the molecular formula C17H30Cl2N6O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
PubChem CID111651128
Molecular FormulaC17H30Cl2N6O
Molecular Weight405.37 g/mol
Exact Mass404.19
IUPAC Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCN(C)CCCOC)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H30Cl2N6O/c1-4-20-17(23-8-10-25(2)9-5-11-26-3)22-7-6-21-16-15(19)12-14(18)13-24-16/h12-13H,4-11H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyQUHVSKLZSXAFDD-UHFFFAOYSA-N
XLogP2.32
TPSA73.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111405856
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472957
3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942200
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652526
2-chloro-N-[2-[[N-ethyl-N'-[2-[3-methoxypropyl(methyl)amino]ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111652902
1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111650669
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972073
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651024
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922099
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651561
N-[2-[[N-ethyl-N'-[2-[3-methoxypropyl(methyl)amino]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111650539

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine (CID 111651128) is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine is CCN/C(=N\CCN(C)CCCOC)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine?
The InChIKey is QUHVSKLZSXAFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Cl2N6O/c1-4-20-17(23-8-10-25(2)9-5-11-26-3)22-7-6-21-16-15(19)12-14(18)13-24-16/h12-13H,4-11H2,1-3H3,(H,21,24)(H2,20,22,23).
What are the key properties of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine?
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine has a molecular weight of 405.37 g/mol, XLogP of 2.32, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 111651128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).