butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane

C13H24ClN3 — CID 144767802

IUPACbutane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
SMILESCC.CCCC.[H]/N=C(\C)c1cnc(Cl)cc1N
InChIInChI=1S/C7H8ClN3.C4H10.C2H6/c1-4(9)5-3-11-7(8)2-6(5)10;1-3-4-2;1-2/h2-3,9H,1H3,(H2,10,11);3-4H2,1-2H3;1-2H3/b9-4+;;
InChIKeyPBLYJSWJISVFQC-HPJBNNNXSA-N
MW257.81 g/mol
LogP4.54
Rot. Bonds2

About butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane

butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane (PubChem CID 144767802) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane.

Molecular Properties

Compound Namebutane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
PubChem CID144767802
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Namebutane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
SMILESCC.CCCC.[H]/N=C(\C)c1cnc(Cl)cc1N
InChIInChI=1S/C7H8ClN3.C4H10.C2H6/c1-4(9)5-3-11-7(8)2-6(5)10;1-3-4-2;1-2/h2-3,9H,1H3,(H2,10,11);3-4H2,1-2H3;1-2H3/b9-4+;;
InChIKeyPBLYJSWJISVFQC-HPJBNNNXSA-N
XLogP4.54
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
CID 167080790
1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
CID 165125525
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
CID 164593281
CID 164593281
4-amino-6-chloropyridin-3-ol
CID 45079903
(4-amino-6-chloro-3-pyridinyl)methanol
CID 21073390
6-chloro-4-N,4-N-diethylpyridine-3,4-diamine
CID 115021883
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
CID 176566491
2-(5-amino-2-chloro-4-pyridinyl)ethanol
CID 88537888

Frequently Asked Questions

What is the IUPAC name of butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane?
The IUPAC name of butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane (CID 144767802) is butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane.
What is the SMILES notation for butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane?
The canonical SMILES for butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane is CC.CCCC.[H]/N=C(\C)c1cnc(Cl)cc1N.
What is the InChIKey of butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane?
The InChIKey is PBLYJSWJISVFQC-HPJBNNNXSA-N. The full InChI is InChI=1S/C7H8ClN3.C4H10.C2H6/c1-4(9)5-3-11-7(8)2-6(5)10;1-3-4-2;1-2/h2-3,9H,1H3,(H2,10,11);3-4H2,1-2H3;1-2H3/b9-4+;;.
What are the key properties of butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane?
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane has a molecular weight of 257.81 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane is sourced from PubChem (CID 144767802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).