2-chloro-N-hex-5-en-2-ylpyridin-4-amine

C11H15ClN2 — CID 104655827

IUPAC2-chloro-N-hex-5-en-2-ylpyridin-4-amine
SMILESC=CCCC(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-3-4-5-9(2)14-10-6-7-13-11(12)8-10/h3,6-9H,1,4-5H2,2H3,(H,13,14)
InChIKeyLLTSCTUBCZMNNM-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.50
Rot. Bonds5

About 2-chloro-N-hex-5-en-2-ylpyridin-4-amine

2-chloro-N-hex-5-en-2-ylpyridin-4-amine (PubChem CID 104655827) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-N-hex-5-en-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-hex-5-en-2-ylpyridin-4-amine
PubChem CID104655827
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-N-hex-5-en-2-ylpyridin-4-amine
SMILESC=CCCC(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-3-4-5-9(2)14-10-6-7-13-11(12)8-10/h3,6-9H,1,4-5H2,2H3,(H,13,14)
InChIKeyLLTSCTUBCZMNNM-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
3-chloro-N-hex-5-en-2-yl-4-propoxyaniline
CID 113437888
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
CID 86790165
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hex-5-en-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-N-hex-5-en-2-ylpyridin-4-amine (CID 104655827) is 2-chloro-N-hex-5-en-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-hex-5-en-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-hex-5-en-2-ylpyridin-4-amine is C=CCCC(C)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-hex-5-en-2-ylpyridin-4-amine?
The InChIKey is LLTSCTUBCZMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-4-5-9(2)14-10-6-7-13-11(12)8-10/h3,6-9H,1,4-5H2,2H3,(H,13,14).
What are the key properties of 2-chloro-N-hex-5-en-2-ylpyridin-4-amine?
2-chloro-N-hex-5-en-2-ylpyridin-4-amine has a molecular weight of 210.71 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hex-5-en-2-ylpyridin-4-amine is sourced from PubChem (CID 104655827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).