5-chloro-N-hex-1-yn-3-ylpyridin-2-amine

C11H13ClN2 — CID 106231577

IUPAC5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CCC)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h2,6-8,10H,3,5H2,1H3,(H,13,14)
InChIKeyUIRZAIBYIUVYNL-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine

5-chloro-N-hex-1-yn-3-ylpyridin-2-amine (PubChem CID 106231577) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
PubChem CID106231577
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CCC)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h2,6-8,10H,3,5H2,1H3,(H,13,14)
InChIKeyUIRZAIBYIUVYNL-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine
CID 6610512
2-chloro-N-hex-1-yn-3-yl-5-methylpyrimidin-4-amine
CID 106232841
6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 106231516
N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
N-[bis(phosphanyl)methyl]-5-chloropyridin-2-amine
CID 118465848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine?
The IUPAC name of 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine (CID 106231577) is 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine is C#CC(CCC)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine?
The InChIKey is UIRZAIBYIUVYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h2,6-8,10H,3,5H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine?
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine has a molecular weight of 208.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hex-1-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106231577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).